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Identification Taxonomy Ontology Physical properties Spectra Biological properties Concentrations Links References enzymes (4)transporters (1) Show 5 proteins XML

enzymes (4)transporters (1) Show 5 proteins

Record Information

Version

5.0

Status

Expected but not Quantified

Creation Date

2012-09-06 15:16:51 UTC

Update Date

2022-03-07 02:51:53 UTC

HMDB ID

HMDB0015156

Secondary Accession Numbers

HMDB15156

Metabolite Identification

Common Name

Trichlormethiazide

Description

Trichlormethiazide is only found in individuals that have used or taken this drug. It is a thiazide diuretic with properties similar to those of hydrochlorothiazide. (From Martindale, The Extra Pharmacopoeia, 30th ed, p830)Trichlormethiazide appears to block the active reabsorption of chloride and possibly sodium in the ascending loop of Henle, altering electrolyte transfer in the proximal tubule. This results in excretion of sodium, chloride, and water and, hence, diuresis. As a diuretic, Trichloromethiazide inhibits active chloride reabsorption at the early distal tubule via the Na-Cl cotransporter, resulting in an increase in the excretion of sodium, chloride, and water. Thiazides like Trichloromethiazide also inhibit sodium ion transport across the renal tubular epithelium through binding to the thiazide sensitive sodium-chloride transporter. This results in an increase in potassium excretion via the sodium-potassium exchange mechanism. The antihypertensive mechanism of Trichloromethiazide is less well understood although it may be mediated through its action on carbonic anhydrases in the smooth muscle or through its action on the large-conductance calcium-activated potassium (KCa) channel, also found in the smooth muscle.

Structure

MOL 3D MOL SDF 3D SDF PDB 3D PDB SMILES InChI

1021
  Mrv0541 02231215112D          

 20 21  0  0  1  0            999 V2000
    2.3641    1.7106    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.6498    0.4732    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    6.7049    0.9057    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.7929   -0.7641    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    6.7049   -0.7840    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.2053   -1.4784    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3804   -1.4784    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1200   -0.0712    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.2896   -1.4968    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0786   -0.3517    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7929    0.8857    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.4176   -1.1991    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.0786    0.4732    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5073   -0.3517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5073    0.4732    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2446   -0.7926    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9921   -0.3689    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3641    0.8857    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2446    0.9143    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9921    0.4904    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1 18  1  0  0  0  0
  2 18  1  0  0  0  0
  3 20  1  0  0  0  0
  4  6  2  0  0  0  0
  4  7  2  0  0  0  0
  4 10  1  0  0  0  0
  4 14  1  0  0  0  0
  5  8  2  0  0  0  0
  5  9  2  0  0  0  0
  5 12  1  0  0  0  0
  5 17  1  0  0  0  0
 10 13  1  0  0  0  0
 11 13  1  0  0  0  0
 11 15  1  0  0  0  0
 13 18  1  0  0  0  0
 14 15  1  0  0  0  0
 14 16  2  0  0  0  0
 15 19  2  0  0  0  0
 16 17  1  0  0  0  0
 17 20  2  0  0  0  0
 19 20  1  0  0  0  0
M  END
> <DATABASE_ID>
HMDB0015156

> <DATABASE_NAME>
hmdb

> <SMILES>
NS(=O)(=O)C1=C(Cl)C=C2NC(NS(=O)(=O)C2=C1)C(Cl)Cl

> <INCHI_IDENTIFIER>
InChI=1S/C8H8Cl3N3O4S2/c9-3-1-4-6(2-5(3)19(12,15)16)20(17,18)14-8(13-4)7(10)11/h1-2,7-8,13-14H,(H2,12,15,16)

> <INCHI_KEY>
LMJSLTNSBFUCMU-UHFFFAOYSA-N

> <FORMULA>
C8H8Cl3N3O4S2

> <MOLECULAR_WEIGHT>
380.656

> <EXACT_MASS>
378.90218026

> <JCHEM_ACCEPTOR_COUNT>
5

> <JCHEM_AVERAGE_POLARIZABILITY>
31.970887949352836

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
3

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
6-chloro-3-(dichloromethyl)-1,1-dioxo-3,4-dihydro-2H-1λ⁶,2,4-benzothiadiazine-7-sulfonamide

> <ALOGPS_LOGP>
0.86

> <JCHEM_LOGP>
0.9733494586666664

> <ALOGPS_LOGS>
-2.96

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
2

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
9.80221331927889

> <JCHEM_PKA_STRONGEST_ACIDIC>
8.322179814553696

> <JCHEM_PKA_STRONGEST_BASIC>
-4.055106429314077

> <JCHEM_POLAR_SURFACE_AREA>
118.36

> <JCHEM_REFRACTIVITY>
77.4351

> <JCHEM_ROTATABLE_BOND_COUNT>
2

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
4.15e-01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
trichlormethiazide

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 23-FEB-12   NONE
TITLE     NULL                                                        
COMPND    MOLECULE: 1021                                              
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   23-FEB-12         0                                  
HETATM    1 Cl   UNK     0       4.413   3.193   0.000  0.00  0.00          Cl+0
HETATM    2 Cl   UNK     0       3.080   0.883   0.000  0.00  0.00          Cl+0
HETATM    3 Cl   UNK     0      12.516   1.691   0.000  0.00  0.00          Cl+0
HETATM    4  S   UNK     0       7.080  -1.426   0.000  0.00  0.00           S+0
HETATM    5  S   UNK     0      12.516  -1.463   0.000  0.00  0.00           S+0
HETATM    6  O   UNK     0       7.850  -2.760   0.000  0.00  0.00           O+0
HETATM    7  O   UNK     0       6.310  -2.760   0.000  0.00  0.00           O+0
HETATM    8  O   UNK     0      13.291  -0.133   0.000  0.00  0.00           O+0
HETATM    9  O   UNK     0      11.741  -2.794   0.000  0.00  0.00           O+0
HETATM   10  N   UNK     0       5.747  -0.656   0.000  0.00  0.00           N+0
HETATM   11  N   UNK     0       7.080   1.653   0.000  0.00  0.00           N+0
HETATM   12  N   UNK     0      13.846  -2.238   0.000  0.00  0.00           N+0
HETATM   13  C   UNK     0       5.747   0.883   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0       8.414  -0.656   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0       8.414   0.883   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0       9.790  -1.480   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0      11.185  -0.689   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0       4.413   1.653   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0       9.790   1.707   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0      11.185   0.915   0.000  0.00  0.00           C+0
CONECT    1   18                                                            
CONECT    2   18                                                            
CONECT    3   20                                                            
CONECT    4    6    7   10   14                                             
CONECT    5    8    9   12   17                                             
CONECT    6    4                                                            
CONECT    7    4                                                            
CONECT    8    5                                                            
CONECT    9    5                                                            
CONECT   10    4   13                                                       
CONECT   11   13   15                                                       
CONECT   12    5                                                            
CONECT   13   10   11   18                                                  
CONECT   14    4   15   16                                                  
CONECT   15   11   14   19                                                  
CONECT   16   14   17                                                       
CONECT   17    5   16   20                                                  
CONECT   18    1    2   13                                                  
CONECT   19   15   20                                                       
CONECT   20    3   17   19                                                  
MASTER        0    0    0    0    0    0    0    0   20    0   42    0
END

COMPND    HMDB0015156
HETATM    1  N1  UNL     1       4.481  -1.304   0.354  1.00  0.00           N  
HETATM    2  S1  UNL     1       3.986   0.200  -0.278  1.00  0.00           S  
HETATM    3  O1  UNL     1       4.653   1.321   0.459  1.00  0.00           O  
HETATM    4  O2  UNL     1       4.497   0.277  -1.711  1.00  0.00           O  
HETATM    5  C1  UNL     1       2.269   0.388  -0.340  1.00  0.00           C  
HETATM    6  C2  UNL     1       1.377  -0.578   0.079  1.00  0.00           C  
HETATM    7  C3  UNL     1       0.031  -0.411   0.023  1.00  0.00           C  
HETATM    8  C4  UNL     1      -0.500   0.759  -0.467  1.00  0.00           C  
HETATM    9  C5  UNL     1       0.353   1.753  -0.898  1.00  0.00           C  
HETATM   10  C6  UNL     1       1.727   1.554  -0.828  1.00  0.00           C  
HETATM   11 CL1  UNL     1       2.816   2.807  -1.371  1.00  0.00          CL  
HETATM   12  N2  UNL     1      -1.909   0.886  -0.504  1.00  0.00           N  
HETATM   13  C7  UNL     1      -2.846   0.280   0.370  1.00  0.00           C  
HETATM   14  C8  UNL     1      -4.200   0.147  -0.337  1.00  0.00           C  
HETATM   15 CL2  UNL     1      -3.932  -0.873  -1.782  1.00  0.00          CL  
HETATM   16 CL3  UNL     1      -4.827   1.729  -0.830  1.00  0.00          CL  
HETATM   17  N3  UNL     1      -2.544  -0.970   0.936  1.00  0.00           N  
HETATM   18  S2  UNL     1      -1.048  -1.650   0.558  1.00  0.00           S  
HETATM   19  O3  UNL     1      -0.462  -2.247   1.832  1.00  0.00           O  
HETATM   20  O4  UNL     1      -1.144  -2.728  -0.478  1.00  0.00           O  
HETATM   21  H1  UNL     1       4.268  -1.404   1.350  1.00  0.00           H  
HETATM   22  H2  UNL     1       4.284  -2.110  -0.247  1.00  0.00           H  
HETATM   23  H3  UNL     1       1.809  -1.505   0.467  1.00  0.00           H  
HETATM   24  H4  UNL     1      -0.073   2.662  -1.279  1.00  0.00           H  
HETATM   25  H5  UNL     1      -2.301   1.508  -1.274  1.00  0.00           H  
HETATM   26  H6  UNL     1      -3.045   1.023   1.199  1.00  0.00           H  
HETATM   27  H7  UNL     1      -4.863  -0.403   0.334  1.00  0.00           H  
HETATM   28  H8  UNL     1      -2.859  -1.112   1.918  1.00  0.00           H  
CONECT    1    2   21   22
CONECT    2    3    3    4    4
CONECT    2    5
CONECT    5    6    6   10
CONECT    6    7   23
CONECT    7    8    8   18
CONECT    8    9   12
CONECT    9   10   10   24
CONECT   10   11
CONECT   12   13   25
CONECT   13   14   17   26
CONECT   14   15   16   27
CONECT   17   18   28
CONECT   18   19   19   20   20
END

View in JSmol View Stereo Labels

Synonyms

Value	Source
Hydrotrichlorothiazide	ChEBI
Trichlormethiazidum	ChEBI
Triclormetiazida	ChEBI
Naqua	Kegg
Schering brand OF trichlormethiazide	MeSH, HMDB
American urologicals brand OF trichloromethiazide	MeSH, HMDB
Aquazide	MeSH, HMDB
Diurese	MeSH, HMDB
Triazide	MeSH, HMDB
Trichloromethiazide	MeSH, HMDB
Jones brand OF trichloromethiazide	MeSH, HMDB

Chemical Formula

C₈H₈Cl₃N₃O₄S₂

Average Molecular Weight

380.656

Monoisotopic Molecular Weight

378.90218026

IUPAC Name

6-chloro-3-(dichloromethyl)-1,1-dioxo-3,4-dihydro-2H-1λ⁶,2,4-benzothiadiazine-7-sulfonamide

Traditional Name

trichlormethiazide

CAS Registry Number

133-67-5

SMILES

NS(=O)(=O)C1=C(Cl)C=C2NC(NS(=O)(=O)C2=C1)C(Cl)Cl

InChI Identifier

InChI=1S/C8H8Cl3N3O4S2/c9-3-1-4-6(2-5(3)19(12,15)16)20(17,18)14-8(13-4)7(10)11/h1-2,7-8,13-14H,(H2,12,15,16)

InChI Key

LMJSLTNSBFUCMU-UHFFFAOYSA-N

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as 1,2,4-benzothiadiazine-1,1-dioxides. These are aromatic heterocyclic compounds containing a 1,2,4-benzothiadiazine ring system with two S=O bonds at the 1-position.

Kingdom

Organic compounds

Super Class

Organoheterocyclic compounds

Class

Thiadiazines

Sub Class

Benzothiadiazines

Direct Parent

1,2,4-benzothiadiazine-1,1-dioxides

Alternative Parents

Substituents

1,2,4-benzothiadiazine-1,1-dioxide
Secondary aliphatic/aromatic amine
Aryl chloride
Aryl halide
Organosulfonic acid amide
Benzenoid
Organic sulfonic acid or derivatives
Organosulfonic acid or derivatives
Aminosulfonyl compound
Sulfonyl
Secondary amine
Azacycle
Organic oxide
Alkyl chloride
Organopnictogen compound
Organosulfur compound
Organonitrogen compound
Organochloride
Organohalogen compound
Organic oxygen compound
Organic nitrogen compound
Amine
Hydrocarbon derivative
Alkyl halide
Aromatic heteropolycyclic compound

Molecular Framework

Aromatic heteropolycyclic compounds

External Descriptors

benzothiadiazine (CHEBI:9683 )

Ontology

Not Available

Urine (PMID: 21059682)

Non-excretory biofluid

Biofluid or Excreta

Blood (PMID: 21059682)

Cellular substructure

Cytoplasm (HMDB: HMDB0015156)
Membrane (HMDB: HMDB0015156)

Process

Naturally occurring process

Biological process

Biochemical pathway

Drug action pathway

Trichlormethiazide Action Pathway (PathBank: SMP0000121)

Role

Not Available

Physical Properties

State

Solid

Experimental Molecular Properties

Property	Value	Reference
Melting Point	Not Available	Not Available
Boiling Point	Not Available	Not Available
Water Solubility	0.42 g/L	Not Available
LogP	0.7	Not Available

Experimental Chromatographic Properties

Not Available

Predicted Molecular Properties

Property	Value	Source
Water Solubility	0.42 g/L	ALOGPS
logP	0.86	ALOGPS
logP	0.97	ChemAxon
logS	-3	ALOGPS
pKa (Strongest Acidic)	8.32	ChemAxon
pKa (Strongest Basic)	-4.1	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	5	ChemAxon
Hydrogen Donor Count	3	ChemAxon
Polar Surface Area	118.36 Å²	ChemAxon
Rotatable Bond Count	2	ChemAxon
Refractivity	77.44 m³·mol⁻¹	ChemAxon
Polarizability	31.97 Å³	ChemAxon
Number of Rings	2	ChemAxon
Bioavailability	Yes	ChemAxon
Rule of Five	Yes	ChemAxon
Ghose Filter	Yes	ChemAxon
Veber's Rule	No	ChemAxon
MDDR-like Rule	No	ChemAxon

Predicted Chromatographic Properties

Predicted Collision Cross Sections

Predictor	Adduct Type	CCS Value (Å²)	Reference
DeepCCS	[M+H]+	166.5	30932474
DeepCCS	[M-H]-	164.142	30932474
DeepCCS	[M-2H]-	198.408	30932474
DeepCCS	[M+Na]+	173.555	30932474
AllCCS	[M+H]+	172.0	32859911
AllCCS	[M+H-H2O]+	169.2	32859911
AllCCS	[M+NH4]+	174.5	32859911
AllCCS	[M+Na]+	175.2	32859911
AllCCS	[M-H]-	163.1	32859911
AllCCS	[M+Na-2H]-	163.2	32859911
AllCCS	[M+HCOO]-	163.4	32859911

Predicted Kovats Retention Indices

Underivatized

Metabolite	SMILES	Kovats RI Value	Column Type	Reference
Trichlormethiazide	NS(=O)(=O)C1=C(Cl)C=C2NC(NS(=O)(=O)C2=C1)C(Cl)Cl	4459.4	Standard polar	33892256
Trichlormethiazide	NS(=O)(=O)C1=C(Cl)C=C2NC(NS(=O)(=O)C2=C1)C(Cl)Cl	2759.5	Standard non polar	33892256
Trichlormethiazide	NS(=O)(=O)C1=C(Cl)C=C2NC(NS(=O)(=O)C2=C1)C(Cl)Cl	3360.9	Semi standard non polar	33892256

Derivatized

Derivative Name / Structure	SMILES	Kovats RI Value	Column Type	Reference
Trichlormethiazide,1TMS,isomer #1	C[Si](C)(C)NS(=O)(=O)C1=CC2=C(C=C1Cl)NC(C(Cl)Cl)NS2(=O)=O	3051.7	Semi standard non polar	33892256
Trichlormethiazide,1TMS,isomer #1	C[Si](C)(C)NS(=O)(=O)C1=CC2=C(C=C1Cl)NC(C(Cl)Cl)NS2(=O)=O	3175.2	Standard non polar	33892256
Trichlormethiazide,1TMS,isomer #1	C[Si](C)(C)NS(=O)(=O)C1=CC2=C(C=C1Cl)NC(C(Cl)Cl)NS2(=O)=O	4740.7	Standard polar	33892256
Trichlormethiazide,1TMS,isomer #2	C[Si](C)(C)N1C2=CC(Cl)=C(S(N)(=O)=O)C=C2S(=O)(=O)NC1C(Cl)Cl	2993.8	Semi standard non polar	33892256
Trichlormethiazide,1TMS,isomer #2	C[Si](C)(C)N1C2=CC(Cl)=C(S(N)(=O)=O)C=C2S(=O)(=O)NC1C(Cl)Cl	3221.0	Standard non polar	33892256
Trichlormethiazide,1TMS,isomer #2	C[Si](C)(C)N1C2=CC(Cl)=C(S(N)(=O)=O)C=C2S(=O)(=O)NC1C(Cl)Cl	4781.9	Standard polar	33892256
Trichlormethiazide,1TMS,isomer #3	C[Si](C)(C)N1C(C(Cl)Cl)NC2=CC(Cl)=C(S(N)(=O)=O)C=C2S1(=O)=O	2987.5	Semi standard non polar	33892256
Trichlormethiazide,1TMS,isomer #3	C[Si](C)(C)N1C(C(Cl)Cl)NC2=CC(Cl)=C(S(N)(=O)=O)C=C2S1(=O)=O	3201.8	Standard non polar	33892256
Trichlormethiazide,1TMS,isomer #3	C[Si](C)(C)N1C(C(Cl)Cl)NC2=CC(Cl)=C(S(N)(=O)=O)C=C2S1(=O)=O	4903.1	Standard polar	33892256
Trichlormethiazide,2TMS,isomer #1	C[Si](C)(C)N([Si](C)(C)C)S(=O)(=O)C1=CC2=C(C=C1Cl)NC(C(Cl)Cl)NS2(=O)=O	2967.7	Semi standard non polar	33892256
Trichlormethiazide,2TMS,isomer #1	C[Si](C)(C)N([Si](C)(C)C)S(=O)(=O)C1=CC2=C(C=C1Cl)NC(C(Cl)Cl)NS2(=O)=O	3379.4	Standard non polar	33892256
Trichlormethiazide,2TMS,isomer #1	C[Si](C)(C)N([Si](C)(C)C)S(=O)(=O)C1=CC2=C(C=C1Cl)NC(C(Cl)Cl)NS2(=O)=O	4571.9	Standard polar	33892256
Trichlormethiazide,2TMS,isomer #2	C[Si](C)(C)NS(=O)(=O)C1=CC2=C(C=C1Cl)N([Si](C)(C)C)C(C(Cl)Cl)NS2(=O)=O	2962.1	Semi standard non polar	33892256
Trichlormethiazide,2TMS,isomer #2	C[Si](C)(C)NS(=O)(=O)C1=CC2=C(C=C1Cl)N([Si](C)(C)C)C(C(Cl)Cl)NS2(=O)=O	3328.0	Standard non polar	33892256
Trichlormethiazide,2TMS,isomer #2	C[Si](C)(C)NS(=O)(=O)C1=CC2=C(C=C1Cl)N([Si](C)(C)C)C(C(Cl)Cl)NS2(=O)=O	4028.3	Standard polar	33892256
Trichlormethiazide,2TMS,isomer #3	C[Si](C)(C)NS(=O)(=O)C1=CC2=C(C=C1Cl)NC(C(Cl)Cl)N([Si](C)(C)C)S2(=O)=O	3001.9	Semi standard non polar	33892256
Trichlormethiazide,2TMS,isomer #3	C[Si](C)(C)NS(=O)(=O)C1=CC2=C(C=C1Cl)NC(C(Cl)Cl)N([Si](C)(C)C)S2(=O)=O	3338.8	Standard non polar	33892256
Trichlormethiazide,2TMS,isomer #3	C[Si](C)(C)NS(=O)(=O)C1=CC2=C(C=C1Cl)NC(C(Cl)Cl)N([Si](C)(C)C)S2(=O)=O	4313.1	Standard polar	33892256
Trichlormethiazide,2TMS,isomer #4	C[Si](C)(C)N1C2=CC(Cl)=C(S(N)(=O)=O)C=C2S(=O)(=O)N([Si](C)(C)C)C1C(Cl)Cl	2983.5	Semi standard non polar	33892256
Trichlormethiazide,2TMS,isomer #4	C[Si](C)(C)N1C2=CC(Cl)=C(S(N)(=O)=O)C=C2S(=O)(=O)N([Si](C)(C)C)C1C(Cl)Cl	3325.3	Standard non polar	33892256
Trichlormethiazide,2TMS,isomer #4	C[Si](C)(C)N1C2=CC(Cl)=C(S(N)(=O)=O)C=C2S(=O)(=O)N([Si](C)(C)C)C1C(Cl)Cl	4450.0	Standard polar	33892256
Trichlormethiazide,3TMS,isomer #1	C[Si](C)(C)N1C2=CC(Cl)=C(S(=O)(=O)N([Si](C)(C)C)[Si](C)(C)C)C=C2S(=O)(=O)NC1C(Cl)Cl	2959.0	Semi standard non polar	33892256
Trichlormethiazide,3TMS,isomer #1	C[Si](C)(C)N1C2=CC(Cl)=C(S(=O)(=O)N([Si](C)(C)C)[Si](C)(C)C)C=C2S(=O)(=O)NC1C(Cl)Cl	3508.6	Standard non polar	33892256
Trichlormethiazide,3TMS,isomer #1	C[Si](C)(C)N1C2=CC(Cl)=C(S(=O)(=O)N([Si](C)(C)C)[Si](C)(C)C)C=C2S(=O)(=O)NC1C(Cl)Cl	3889.8	Standard polar	33892256
Trichlormethiazide,3TMS,isomer #2	C[Si](C)(C)N1C(C(Cl)Cl)NC2=CC(Cl)=C(S(=O)(=O)N([Si](C)(C)C)[Si](C)(C)C)C=C2S1(=O)=O	2972.1	Semi standard non polar	33892256
Trichlormethiazide,3TMS,isomer #2	C[Si](C)(C)N1C(C(Cl)Cl)NC2=CC(Cl)=C(S(=O)(=O)N([Si](C)(C)C)[Si](C)(C)C)C=C2S1(=O)=O	3535.1	Standard non polar	33892256
Trichlormethiazide,3TMS,isomer #2	C[Si](C)(C)N1C(C(Cl)Cl)NC2=CC(Cl)=C(S(=O)(=O)N([Si](C)(C)C)[Si](C)(C)C)C=C2S1(=O)=O	4220.8	Standard polar	33892256
Trichlormethiazide,3TMS,isomer #3	C[Si](C)(C)NS(=O)(=O)C1=CC2=C(C=C1Cl)N([Si](C)(C)C)C(C(Cl)Cl)N([Si](C)(C)C)S2(=O)=O	2962.2	Semi standard non polar	33892256
Trichlormethiazide,3TMS,isomer #3	C[Si](C)(C)NS(=O)(=O)C1=CC2=C(C=C1Cl)N([Si](C)(C)C)C(C(Cl)Cl)N([Si](C)(C)C)S2(=O)=O	3459.3	Standard non polar	33892256
Trichlormethiazide,3TMS,isomer #3	C[Si](C)(C)NS(=O)(=O)C1=CC2=C(C=C1Cl)N([Si](C)(C)C)C(C(Cl)Cl)N([Si](C)(C)C)S2(=O)=O	3861.2	Standard polar	33892256
Trichlormethiazide,4TMS,isomer #1	C[Si](C)(C)N1C2=CC(Cl)=C(S(=O)(=O)N([Si](C)(C)C)[Si](C)(C)C)C=C2S(=O)(=O)N([Si](C)(C)C)C1C(Cl)Cl	2993.7	Semi standard non polar	33892256
Trichlormethiazide,4TMS,isomer #1	C[Si](C)(C)N1C2=CC(Cl)=C(S(=O)(=O)N([Si](C)(C)C)[Si](C)(C)C)C=C2S(=O)(=O)N([Si](C)(C)C)C1C(Cl)Cl	3679.3	Standard non polar	33892256
Trichlormethiazide,4TMS,isomer #1	C[Si](C)(C)N1C2=CC(Cl)=C(S(=O)(=O)N([Si](C)(C)C)[Si](C)(C)C)C=C2S(=O)(=O)N([Si](C)(C)C)C1C(Cl)Cl	3822.7	Standard polar	33892256
Trichlormethiazide,1TBDMS,isomer #1	CC(C)(C)[Si](C)(C)NS(=O)(=O)C1=CC2=C(C=C1Cl)NC(C(Cl)Cl)NS2(=O)=O	3314.5	Semi standard non polar	33892256
Trichlormethiazide,1TBDMS,isomer #1	CC(C)(C)[Si](C)(C)NS(=O)(=O)C1=CC2=C(C=C1Cl)NC(C(Cl)Cl)NS2(=O)=O	3423.5	Standard non polar	33892256
Trichlormethiazide,1TBDMS,isomer #1	CC(C)(C)[Si](C)(C)NS(=O)(=O)C1=CC2=C(C=C1Cl)NC(C(Cl)Cl)NS2(=O)=O	4724.1	Standard polar	33892256
Trichlormethiazide,1TBDMS,isomer #2	CC(C)(C)[Si](C)(C)N1C2=CC(Cl)=C(S(N)(=O)=O)C=C2S(=O)(=O)NC1C(Cl)Cl	3274.6	Semi standard non polar	33892256
Trichlormethiazide,1TBDMS,isomer #2	CC(C)(C)[Si](C)(C)N1C2=CC(Cl)=C(S(N)(=O)=O)C=C2S(=O)(=O)NC1C(Cl)Cl	3457.3	Standard non polar	33892256
Trichlormethiazide,1TBDMS,isomer #2	CC(C)(C)[Si](C)(C)N1C2=CC(Cl)=C(S(N)(=O)=O)C=C2S(=O)(=O)NC1C(Cl)Cl	4844.5	Standard polar	33892256
Trichlormethiazide,1TBDMS,isomer #3	CC(C)(C)[Si](C)(C)N1C(C(Cl)Cl)NC2=CC(Cl)=C(S(N)(=O)=O)C=C2S1(=O)=O	3290.0	Semi standard non polar	33892256
Trichlormethiazide,1TBDMS,isomer #3	CC(C)(C)[Si](C)(C)N1C(C(Cl)Cl)NC2=CC(Cl)=C(S(N)(=O)=O)C=C2S1(=O)=O	3437.3	Standard non polar	33892256
Trichlormethiazide,1TBDMS,isomer #3	CC(C)(C)[Si](C)(C)N1C(C(Cl)Cl)NC2=CC(Cl)=C(S(N)(=O)=O)C=C2S1(=O)=O	4977.0	Standard polar	33892256
Trichlormethiazide,2TBDMS,isomer #1	CC(C)(C)[Si](C)(C)N([Si](C)(C)C(C)(C)C)S(=O)(=O)C1=CC2=C(C=C1Cl)NC(C(Cl)Cl)NS2(=O)=O	3514.2	Semi standard non polar	33892256
Trichlormethiazide,2TBDMS,isomer #1	CC(C)(C)[Si](C)(C)N([Si](C)(C)C(C)(C)C)S(=O)(=O)C1=CC2=C(C=C1Cl)NC(C(Cl)Cl)NS2(=O)=O	3836.8	Standard non polar	33892256
Trichlormethiazide,2TBDMS,isomer #1	CC(C)(C)[Si](C)(C)N([Si](C)(C)C(C)(C)C)S(=O)(=O)C1=CC2=C(C=C1Cl)NC(C(Cl)Cl)NS2(=O)=O	4476.5	Standard polar	33892256
Trichlormethiazide,2TBDMS,isomer #2	CC(C)(C)[Si](C)(C)NS(=O)(=O)C1=CC2=C(C=C1Cl)N([Si](C)(C)C(C)(C)C)C(C(Cl)Cl)NS2(=O)=O	3472.0	Semi standard non polar	33892256
Trichlormethiazide,2TBDMS,isomer #2	CC(C)(C)[Si](C)(C)NS(=O)(=O)C1=CC2=C(C=C1Cl)N([Si](C)(C)C(C)(C)C)C(C(Cl)Cl)NS2(=O)=O	3819.0	Standard non polar	33892256
Trichlormethiazide,2TBDMS,isomer #2	CC(C)(C)[Si](C)(C)NS(=O)(=O)C1=CC2=C(C=C1Cl)N([Si](C)(C)C(C)(C)C)C(C(Cl)Cl)NS2(=O)=O	4028.6	Standard polar	33892256
Trichlormethiazide,2TBDMS,isomer #3	CC(C)(C)[Si](C)(C)NS(=O)(=O)C1=CC2=C(C=C1Cl)NC(C(Cl)Cl)N([Si](C)(C)C(C)(C)C)S2(=O)=O	3475.1	Semi standard non polar	33892256
Trichlormethiazide,2TBDMS,isomer #3	CC(C)(C)[Si](C)(C)NS(=O)(=O)C1=CC2=C(C=C1Cl)NC(C(Cl)Cl)N([Si](C)(C)C(C)(C)C)S2(=O)=O	3809.0	Standard non polar	33892256
Trichlormethiazide,2TBDMS,isomer #3	CC(C)(C)[Si](C)(C)NS(=O)(=O)C1=CC2=C(C=C1Cl)NC(C(Cl)Cl)N([Si](C)(C)C(C)(C)C)S2(=O)=O	4325.3	Standard polar	33892256
Trichlormethiazide,2TBDMS,isomer #4	CC(C)(C)[Si](C)(C)N1C2=CC(Cl)=C(S(N)(=O)=O)C=C2S(=O)(=O)N([Si](C)(C)C(C)(C)C)C1C(Cl)Cl	3495.1	Semi standard non polar	33892256
Trichlormethiazide,2TBDMS,isomer #4	CC(C)(C)[Si](C)(C)N1C2=CC(Cl)=C(S(N)(=O)=O)C=C2S(=O)(=O)N([Si](C)(C)C(C)(C)C)C1C(Cl)Cl	3829.2	Standard non polar	33892256
Trichlormethiazide,2TBDMS,isomer #4	CC(C)(C)[Si](C)(C)N1C2=CC(Cl)=C(S(N)(=O)=O)C=C2S(=O)(=O)N([Si](C)(C)C(C)(C)C)C1C(Cl)Cl	4500.7	Standard polar	33892256
Trichlormethiazide,3TBDMS,isomer #1	CC(C)(C)[Si](C)(C)N1C2=CC(Cl)=C(S(=O)(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C=C2S(=O)(=O)NC1C(Cl)Cl	3708.8	Semi standard non polar	33892256
Trichlormethiazide,3TBDMS,isomer #1	CC(C)(C)[Si](C)(C)N1C2=CC(Cl)=C(S(=O)(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C=C2S(=O)(=O)NC1C(Cl)Cl	4209.4	Standard non polar	33892256
Trichlormethiazide,3TBDMS,isomer #1	CC(C)(C)[Si](C)(C)N1C2=CC(Cl)=C(S(=O)(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C=C2S(=O)(=O)NC1C(Cl)Cl	3932.8	Standard polar	33892256
Trichlormethiazide,3TBDMS,isomer #2	CC(C)(C)[Si](C)(C)N1C(C(Cl)Cl)NC2=CC(Cl)=C(S(=O)(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C=C2S1(=O)=O	3679.0	Semi standard non polar	33892256
Trichlormethiazide,3TBDMS,isomer #2	CC(C)(C)[Si](C)(C)N1C(C(Cl)Cl)NC2=CC(Cl)=C(S(=O)(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C=C2S1(=O)=O	4225.7	Standard non polar	33892256
Trichlormethiazide,3TBDMS,isomer #2	CC(C)(C)[Si](C)(C)N1C(C(Cl)Cl)NC2=CC(Cl)=C(S(=O)(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C=C2S1(=O)=O	4227.9	Standard polar	33892256
Trichlormethiazide,3TBDMS,isomer #3	CC(C)(C)[Si](C)(C)NS(=O)(=O)C1=CC2=C(C=C1Cl)N([Si](C)(C)C(C)(C)C)C(C(Cl)Cl)N([Si](C)(C)C(C)(C)C)S2(=O)=O	3669.2	Semi standard non polar	33892256
Trichlormethiazide,3TBDMS,isomer #3	CC(C)(C)[Si](C)(C)NS(=O)(=O)C1=CC2=C(C=C1Cl)N([Si](C)(C)C(C)(C)C)C(C(Cl)Cl)N([Si](C)(C)C(C)(C)C)S2(=O)=O	4225.3	Standard non polar	33892256
Trichlormethiazide,3TBDMS,isomer #3	CC(C)(C)[Si](C)(C)NS(=O)(=O)C1=CC2=C(C=C1Cl)N([Si](C)(C)C(C)(C)C)C(C(Cl)Cl)N([Si](C)(C)C(C)(C)C)S2(=O)=O	3968.8	Standard polar	33892256
Trichlormethiazide,4TBDMS,isomer #1	CC(C)(C)[Si](C)(C)N1C2=CC(Cl)=C(S(=O)(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C=C2S(=O)(=O)N([Si](C)(C)C(C)(C)C)C1C(Cl)Cl	3900.9	Semi standard non polar	33892256
Trichlormethiazide,4TBDMS,isomer #1	CC(C)(C)[Si](C)(C)N1C2=CC(Cl)=C(S(=O)(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C=C2S(=O)(=O)N([Si](C)(C)C(C)(C)C)C1C(Cl)Cl	4656.5	Standard non polar	33892256
Trichlormethiazide,4TBDMS,isomer #1	CC(C)(C)[Si](C)(C)N1C2=CC(Cl)=C(S(=O)(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C=C2S(=O)(=O)N([Si](C)(C)C(C)(C)C)C1C(Cl)Cl	3964.2	Standard polar	33892256

Spectra

GC-MS Spectra

Spectrum Type	Description	Splash Key	Deposition Date	Source	View
Predicted GC-MS	Predicted GC-MS Spectrum - Trichlormethiazide GC-MS (Non-derivatized) - 70eV, Positive	splash10-016r-5190000000-adca0c41d4316946e8e7	2017-09-01	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Trichlormethiazide GC-MS (Non-derivatized) - 70eV, Positive	Not Available	2021-10-12	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Trichlormethiazide GC-MS (Non-derivatized) - 70eV, Positive	Not Available	2021-10-12	Wishart Lab	View Spectrum

MS/MS Spectra

Spectrum Type	Description	Splash Key	Deposition Date	Source	View
Experimental LC-MS/MS	LC-MS/MS Spectrum - Trichlormethiazide LC-ESI-qTof , Positive-QTOF	splash10-01p2-2950000000-2584307bcbe6b5fd0ba0	2017-09-14	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - Trichlormethiazide , positive-QTOF	splash10-01p2-2950000000-2584307bcbe6b5fd0ba0	2017-09-14	HMDB team, MONA	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Trichlormethiazide 10V, Positive-QTOF	splash10-004i-0009000000-157fc9a854cac5034273	2016-08-01	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Trichlormethiazide 20V, Positive-QTOF	splash10-014i-0193000000-19681cc56851e7130681	2016-08-01	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Trichlormethiazide 40V, Positive-QTOF	splash10-01q9-9240000000-495a697e32278834571e	2016-08-01	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Trichlormethiazide 10V, Negative-QTOF	splash10-002b-1098000000-d57f49d3da33c6ee4215	2016-08-03	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Trichlormethiazide 20V, Negative-QTOF	splash10-004i-8229000000-aa6c1dcaba15bbab0ac5	2016-08-03	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Trichlormethiazide 40V, Negative-QTOF	splash10-0a6r-7900000000-7232d73fcd73c28a3302	2016-08-03	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Trichlormethiazide 10V, Negative-QTOF	splash10-004i-0009000000-22a9e371f9df589420dc	2021-10-11	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Trichlormethiazide 20V, Negative-QTOF	splash10-004i-1009000000-9c0808e171bb412a558c	2021-10-11	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Trichlormethiazide 40V, Negative-QTOF	splash10-0fa9-9680000000-64ed1ff15d1871a3564e	2021-10-11	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Trichlormethiazide 10V, Positive-QTOF	splash10-004i-0009000000-97cf46653736791faa85	2021-10-11	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Trichlormethiazide 20V, Positive-QTOF	splash10-004i-0009000000-8fb17fc3e2dfa5f4a0f4	2021-10-11	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Trichlormethiazide 40V, Positive-QTOF	splash10-0gx1-3392000000-87a4644ddc894296eb20	2021-10-11	Wishart Lab	View Spectrum

Biological Properties

Cellular Locations

Cytoplasm
Membrane

Biospecimen Locations

Blood
Urine

Tissue Locations

Not Available

Pathways

Name	SMPDB/PathBank	KEGG
Trichlormethiazide Action Pathway		Not Available

Normal Concentrations

Biospecimen	Status	Value	Age	Sex	Condition	Reference	Details
Blood	Expected but not Quantified	Not Quantified	Not Available	Not Available	Taking drug identified by DrugBank entry DB01021	21059682	details
Urine	Expected but not Quantified	Not Quantified	Not Available	Not Available	Taking drug identified by DrugBank entry DB01021	21059682	details

Abnormal Concentrations

Not Available

Associated Disorders and Diseases

Disease References

None

Associated OMIM IDs

None

External Links

DrugBank ID

DB01021

Phenol Explorer Compound ID

Not Available

FooDB ID

Not Available

KNApSAcK ID

Not Available

Chemspider ID

5359

KEGG Compound ID

C07767

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Trichlormethiazide

METLIN ID

Not Available

PubChem Compound

Not Available

PDB ID

Not Available

ChEBI ID

9683

Food Biomarker Ontology

Not Available

VMH ID

Not Available

MarkerDB ID

Not Available

Good Scents ID

Not Available

References

Synthesis Reference

Not Available

Material Safety Data Sheet (MSDS)

Download (PDF)

General References

Not Available

Enzymes

Enzyme Details

1. Sodium/potassium-transporting ATPase subunit alpha-1

General function:: Involved in ATP binding
Specific function:: This is the catalytic component of the active enzyme, which catalyzes the hydrolysis of ATP coupled with the exchange of sodium and potassium ions across the plasma membrane. This action creates the electrochemical gradient of sodium and potassium ions, providing the energy for active transport of various nutrients.
Gene Name:: ATP1A1
Uniprot ID:: P05023
Molecular weight:: 112895.01

References

Takahashi N, Kondo Y, Fujiwara I, Ito O, Igarashi Y, Abe K: Characterization of Na+ transport across the cell membranes of the ascending thin limb of Henle's loop. Kidney Int. 1995 Mar;47(3):789-94. [PubMed:7752578 ]

Enzyme Details

2. Carbonic anhydrase 1

General function:: Involved in carbonate dehydratase activity
Specific function:: Reversible hydration of carbon dioxide. Can hydrates cyanamide to urea.
Gene Name:: CA1
Uniprot ID:: P00915
Molecular weight:: 28870.0

References

Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6. [PubMed:17139284 ]
Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34. [PubMed:17016423 ]
Temperini C, Cecchi A, Scozzafava A, Supuran CT: Carbonic anhydrase inhibitors. Comparison of chlorthalidone, indapamide, trichloromethiazide, and furosemide X-ray crystal structures in adducts with isozyme II, when several water molecules make the difference. Bioorg Med Chem. 2009 Feb 1;17(3):1214-21. doi: 10.1016/j.bmc.2008.12.023. Epub 2008 Dec 24. [PubMed:19119014 ]

Enzyme Details

3. Carbonic anhydrase 2

General function:: Involved in carbonate dehydratase activity
Specific function:: Essential for bone resorption and osteoclast differentiation (By similarity). Reversible hydration of carbon dioxide. Can hydrate cyanamide to urea. Involved in the regulation of fluid secretion into the anterior chamber of the eye.
Gene Name:: CA2
Uniprot ID:: P00918
Molecular weight:: 29245.895

References

Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6. [PubMed:17139284 ]
Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34. [PubMed:17016423 ]
Temperini C, Cecchi A, Scozzafava A, Supuran CT: Carbonic anhydrase inhibitors. Comparison of chlorthalidone, indapamide, trichloromethiazide, and furosemide X-ray crystal structures in adducts with isozyme II, when several water molecules make the difference. Bioorg Med Chem. 2009 Feb 1;17(3):1214-21. doi: 10.1016/j.bmc.2008.12.023. Epub 2008 Dec 24. [PubMed:19119014 ]

Enzyme Details

4. Carbonic anhydrase 4

General function:: Involved in carbonate dehydratase activity
Specific function:: Reversible hydration of carbon dioxide. May stimulate the sodium/bicarbonate transporter activity of SLC4A4 that acts in pH homeostasis. It is essential for acid overload removal from the retina and retina epithelium, and acid release in the choriocapillaris in the choroid.
Gene Name:: CA4
Uniprot ID:: P22748
Molecular weight:: 35032.075

References

Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6. [PubMed:17139284 ]
Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34. [PubMed:17016423 ]
Temperini C, Cecchi A, Scozzafava A, Supuran CT: Carbonic anhydrase inhibitors. Comparison of chlorthalidone, indapamide, trichloromethiazide, and furosemide X-ray crystal structures in adducts with isozyme II, when several water molecules make the difference. Bioorg Med Chem. 2009 Feb 1;17(3):1214-21. doi: 10.1016/j.bmc.2008.12.023. Epub 2008 Dec 24. [PubMed:19119014 ]

Transporters

Enzyme Details

1. Solute carrier family 12 member 1

General function:: Involved in transport
Specific function:: Electrically silent transporter system. Mediates sodium and chloride reabsorption. Plays a vital role in the regulation of ionic balance and cell volume
Gene Name:: SLC12A1
Uniprot ID:: Q13621
Molecular weight:: 121449.1

References

Li J, Wang DH: Function and regulation of epithelial sodium transporters in the kidney of a salt-sensitive hypertensive rat model. J Hypertens. 2007 May;25(5):1065-72. [PubMed:17414671 ]
Hasannejad H, Takeda M, Taki K, Shin HJ, Babu E, Jutabha P, Khamdang S, Aleboyeh M, Onozato ML, Tojo A, Enomoto A, Anzai N, Narikawa S, Huang XL, Niwa T, Endou H: Interactions of human organic anion transporters with diuretics. J Pharmacol Exp Ther. 2004 Mar;308(3):1021-9. Epub 2003 Nov 10. [PubMed:14610216 ]
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Showing metabocard for Trichlormethiazide (HMDB0015156)

MOL for HMDB0015156 (Trichlormethiazide)

3D MOL for HMDB0015156 (Trichlormethiazide)

3D SDF for HMDB0015156 (Trichlormethiazide)

3D-SDF for HMDB0015156 (Trichlormethiazide)

PDB for HMDB0015156 (Trichlormethiazide)

3D PDB for HMDB0015156 (Trichlormethiazide)

SMILES for HMDB0015156 (Trichlormethiazide)

INCHI for HMDB0015156 (Trichlormethiazide)

Structure for HMDB0015156 (Trichlormethiazide)

3D Structure for HMDB0015156 (Trichlormethiazide)

Predicted Collision Cross Sections

Predicted Kovats Retention Indices

Underivatized

Derivatized

GC-MS Spectra

MS/MS Spectra

Enzymes

References

References

References

References

Transporters

References