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Record Information
Version5.0
StatusExpected but not Quantified
Creation Date2012-09-06 15:16:49 UTC
Update Date2022-03-07 02:51:38 UTC
HMDB IDHMDB0014494
Secondary Accession Numbers
  • HMDB14494
Metabolite Identification
Common NameMinoxidil
DescriptionMinoxidil is only found in individuals that have used or taken this drug. It is a potent direct-acting peripheral vasodilator (vasodilator agents) that reduces peripheral resistance and produces a fall in blood pressure. (From Martindale, The Extra Pharmacopoeia, 30th ed, p371)Minoxidil is thought to promote the survival of human dermal papillary cells (DPCs) or hair cells by activating both extracellular signal-regulated kinase (ERK) and Akt and by preventing cell death by increasing the ratio of BCl-2/Bax. Minoxidil may stimulate the growth of human hairs by prolonging anagen through these proliferative and anti-apoptotic effects on DPCs. Minoxidil, when used as a vasodilator, acts by opening adenosine triphosphate-sensitive potassium channels in vascular smooth muscle cells. This vasodilation may also improve the viability of hair cells or hair follicles.
Structure
Data?1582753185
Synonyms
ValueSource
AlostilChEBI
Apo-gainChEBI
LonitenChEBI
LonoloxChEBI
MinoxidilumChEBI
MinoximenChEBI
NormoxidilChEBI
RegaineChEBI
RogaineChEBI
TricoxidilChEBI
RiupKegg
Chemical FormulaC9H15N5O
Average Molecular Weight209.2483
Monoisotopic Molecular Weight209.127660127
IUPAC Name2,6-diamino-4-(piperidin-1-yl)pyrimidin-1-ium-1-olate
Traditional Namerogaine
CAS Registry Number38304-91-5
SMILES
NC1=CC(=NC(N)=[N+]1[O-])N1CCCCC1
InChI Identifier
InChI=1S/C9H15N5O/c10-7-6-8(12-9(11)14(7)15)13-4-2-1-3-5-13/h6H,1-5,10H2,(H2,11,12)
InChI KeyZFMITUMMTDLWHR-UHFFFAOYSA-N
Chemical Taxonomy
Description Belongs to the class of organic compounds known as dialkylarylamines. These are aliphatic aromatic amines in which the amino group is linked to two aliphatic chains and one aromatic group.
KingdomOrganic compounds
Super ClassOrganic nitrogen compounds
ClassOrganonitrogen compounds
Sub ClassAmines
Direct ParentDialkylarylamines
Alternative Parents
Substituents
  • Dialkylarylamine
  • Aminopyrimidine
  • Imidolactam
  • Pyrimidine
  • Piperidine
  • Heteroaromatic compound
  • Azacycle
  • Organoheterocyclic compound
  • Organic oxygen compound
  • Organopnictogen compound
  • Organic oxide
  • Hydrocarbon derivative
  • Primary amine
  • Aromatic heteromonocyclic compound
Molecular FrameworkAromatic heteromonocyclic compounds
External Descriptors
Ontology
Disposition

Biological location

Physical Properties
StateSolid
Experimental Molecular Properties
PropertyValueReference
Melting Point248 °CNot Available
Boiling PointNot AvailableNot Available
Water Solubility19.9 g/LNot Available
LogP0.6Not Available
Experimental Chromatographic Properties

Experimental Collision Cross Sections

Adduct TypeData SourceCCS Value (Å2)Reference
[M+H]+Not Available146.113http://allccs.zhulab.cn/database/detail?ID=AllCCS00000697
Predicted Molecular Properties
PropertyValueSource
Water Solubility19.9 g/LALOGPS
logP1.24ALOGPS
logP1.3ChemAxon
logS-1ALOGPS
pKa (Strongest Acidic)14.22ChemAxon
pKa (Strongest Basic)4.34ChemAxon
Physiological Charge0ChemAxon
Hydrogen Acceptor Count5ChemAxon
Hydrogen Donor Count2ChemAxon
Polar Surface Area93.63 ŲChemAxon
Rotatable Bond Count1ChemAxon
Refractivity60.74 m³·mol⁻¹ChemAxon
Polarizability21.93 ųChemAxon
Number of Rings2ChemAxon
BioavailabilityYesChemAxon
Rule of FiveYesChemAxon
Ghose FilterYesChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleNoChemAxon
Predicted Chromatographic Properties

Predicted Collision Cross Sections

PredictorAdduct TypeCCS Value (Å2)Reference
DarkChem[M+H]+146.17431661259
DarkChem[M-H]-145.94631661259
DeepCCS[M+H]+148.62230932474
DeepCCS[M-H]-146.22630932474
DeepCCS[M-2H]-179.57930932474
DeepCCS[M+Na]+154.53430932474

Predicted Kovats Retention Indices

Underivatized

MetaboliteSMILESKovats RI ValueColumn TypeReference
MinoxidilNC1=CC(=NC(N)=[N+]1[O-])N1CCCCC12728.3Standard polar33892256
MinoxidilNC1=CC(=NC(N)=[N+]1[O-])N1CCCCC12101.5Standard non polar33892256
MinoxidilNC1=CC(=NC(N)=[N+]1[O-])N1CCCCC12490.0Semi standard non polar33892256

Derivatized

Derivative Name / StructureSMILESKovats RI ValueColumn TypeReference
Minoxidil,1TMS,isomer #1C[Si](C)(C)NC1=CC(N2CCCCC2)=NC(N)=[N+]1[O-]2330.3Semi standard non polar33892256
Minoxidil,1TMS,isomer #1C[Si](C)(C)NC1=CC(N2CCCCC2)=NC(N)=[N+]1[O-]2163.6Standard non polar33892256
Minoxidil,1TMS,isomer #1C[Si](C)(C)NC1=CC(N2CCCCC2)=NC(N)=[N+]1[O-]3118.8Standard polar33892256
Minoxidil,1TMS,isomer #2C[Si](C)(C)NC1=NC(N2CCCCC2)=CC(N)=[N+]1[O-]2314.6Semi standard non polar33892256
Minoxidil,1TMS,isomer #2C[Si](C)(C)NC1=NC(N2CCCCC2)=CC(N)=[N+]1[O-]2153.2Standard non polar33892256
Minoxidil,1TMS,isomer #2C[Si](C)(C)NC1=NC(N2CCCCC2)=CC(N)=[N+]1[O-]3102.2Standard polar33892256
Minoxidil,2TMS,isomer #1C[Si](C)(C)NC1=CC(N2CCCCC2)=NC(N[Si](C)(C)C)=[N+]1[O-]2434.1Semi standard non polar33892256
Minoxidil,2TMS,isomer #1C[Si](C)(C)NC1=CC(N2CCCCC2)=NC(N[Si](C)(C)C)=[N+]1[O-]2248.2Standard non polar33892256
Minoxidil,2TMS,isomer #1C[Si](C)(C)NC1=CC(N2CCCCC2)=NC(N[Si](C)(C)C)=[N+]1[O-]2976.7Standard polar33892256
Minoxidil,2TMS,isomer #2C[Si](C)(C)N(C1=CC(N2CCCCC2)=NC(N)=[N+]1[O-])[Si](C)(C)C2289.1Semi standard non polar33892256
Minoxidil,2TMS,isomer #2C[Si](C)(C)N(C1=CC(N2CCCCC2)=NC(N)=[N+]1[O-])[Si](C)(C)C2300.3Standard non polar33892256
Minoxidil,2TMS,isomer #2C[Si](C)(C)N(C1=CC(N2CCCCC2)=NC(N)=[N+]1[O-])[Si](C)(C)C3115.9Standard polar33892256
Minoxidil,2TMS,isomer #3C[Si](C)(C)N(C1=NC(N2CCCCC2)=CC(N)=[N+]1[O-])[Si](C)(C)C2275.4Semi standard non polar33892256
Minoxidil,2TMS,isomer #3C[Si](C)(C)N(C1=NC(N2CCCCC2)=CC(N)=[N+]1[O-])[Si](C)(C)C2287.6Standard non polar33892256
Minoxidil,2TMS,isomer #3C[Si](C)(C)N(C1=NC(N2CCCCC2)=CC(N)=[N+]1[O-])[Si](C)(C)C3092.1Standard polar33892256
Minoxidil,3TMS,isomer #1C[Si](C)(C)NC1=NC(N2CCCCC2)=CC(N([Si](C)(C)C)[Si](C)(C)C)=[N+]1[O-]2385.1Semi standard non polar33892256
Minoxidil,3TMS,isomer #1C[Si](C)(C)NC1=NC(N2CCCCC2)=CC(N([Si](C)(C)C)[Si](C)(C)C)=[N+]1[O-]2400.6Standard non polar33892256
Minoxidil,3TMS,isomer #1C[Si](C)(C)NC1=NC(N2CCCCC2)=CC(N([Si](C)(C)C)[Si](C)(C)C)=[N+]1[O-]2836.6Standard polar33892256
Minoxidil,3TMS,isomer #2C[Si](C)(C)NC1=CC(N2CCCCC2)=NC(N([Si](C)(C)C)[Si](C)(C)C)=[N+]1[O-]2386.9Semi standard non polar33892256
Minoxidil,3TMS,isomer #2C[Si](C)(C)NC1=CC(N2CCCCC2)=NC(N([Si](C)(C)C)[Si](C)(C)C)=[N+]1[O-]2388.7Standard non polar33892256
Minoxidil,3TMS,isomer #2C[Si](C)(C)NC1=CC(N2CCCCC2)=NC(N([Si](C)(C)C)[Si](C)(C)C)=[N+]1[O-]2820.0Standard polar33892256
Minoxidil,4TMS,isomer #1C[Si](C)(C)N(C1=CC(N2CCCCC2)=NC(N([Si](C)(C)C)[Si](C)(C)C)=[N+]1[O-])[Si](C)(C)C2408.6Semi standard non polar33892256
Minoxidil,4TMS,isomer #1C[Si](C)(C)N(C1=CC(N2CCCCC2)=NC(N([Si](C)(C)C)[Si](C)(C)C)=[N+]1[O-])[Si](C)(C)C2538.9Standard non polar33892256
Minoxidil,4TMS,isomer #1C[Si](C)(C)N(C1=CC(N2CCCCC2)=NC(N([Si](C)(C)C)[Si](C)(C)C)=[N+]1[O-])[Si](C)(C)C2640.6Standard polar33892256
Minoxidil,1TBDMS,isomer #1CC(C)(C)[Si](C)(C)NC1=CC(N2CCCCC2)=NC(N)=[N+]1[O-]2537.1Semi standard non polar33892256
Minoxidil,1TBDMS,isomer #1CC(C)(C)[Si](C)(C)NC1=CC(N2CCCCC2)=NC(N)=[N+]1[O-]2414.8Standard non polar33892256
Minoxidil,1TBDMS,isomer #1CC(C)(C)[Si](C)(C)NC1=CC(N2CCCCC2)=NC(N)=[N+]1[O-]3276.2Standard polar33892256
Minoxidil,1TBDMS,isomer #2CC(C)(C)[Si](C)(C)NC1=NC(N2CCCCC2)=CC(N)=[N+]1[O-]2527.8Semi standard non polar33892256
Minoxidil,1TBDMS,isomer #2CC(C)(C)[Si](C)(C)NC1=NC(N2CCCCC2)=CC(N)=[N+]1[O-]2410.9Standard non polar33892256
Minoxidil,1TBDMS,isomer #2CC(C)(C)[Si](C)(C)NC1=NC(N2CCCCC2)=CC(N)=[N+]1[O-]3251.7Standard polar33892256
Minoxidil,2TBDMS,isomer #1CC(C)(C)[Si](C)(C)NC1=CC(N2CCCCC2)=NC(N[Si](C)(C)C(C)(C)C)=[N+]1[O-]2830.3Semi standard non polar33892256
Minoxidil,2TBDMS,isomer #1CC(C)(C)[Si](C)(C)NC1=CC(N2CCCCC2)=NC(N[Si](C)(C)C(C)(C)C)=[N+]1[O-]2757.0Standard non polar33892256
Minoxidil,2TBDMS,isomer #1CC(C)(C)[Si](C)(C)NC1=CC(N2CCCCC2)=NC(N[Si](C)(C)C(C)(C)C)=[N+]1[O-]3130.4Standard polar33892256
Minoxidil,2TBDMS,isomer #2CC(C)(C)[Si](C)(C)N(C1=CC(N2CCCCC2)=NC(N)=[N+]1[O-])[Si](C)(C)C(C)(C)C2716.3Semi standard non polar33892256
Minoxidil,2TBDMS,isomer #2CC(C)(C)[Si](C)(C)N(C1=CC(N2CCCCC2)=NC(N)=[N+]1[O-])[Si](C)(C)C(C)(C)C2798.4Standard non polar33892256
Minoxidil,2TBDMS,isomer #2CC(C)(C)[Si](C)(C)N(C1=CC(N2CCCCC2)=NC(N)=[N+]1[O-])[Si](C)(C)C(C)(C)C3214.8Standard polar33892256
Minoxidil,2TBDMS,isomer #3CC(C)(C)[Si](C)(C)N(C1=NC(N2CCCCC2)=CC(N)=[N+]1[O-])[Si](C)(C)C(C)(C)C2698.5Semi standard non polar33892256
Minoxidil,2TBDMS,isomer #3CC(C)(C)[Si](C)(C)N(C1=NC(N2CCCCC2)=CC(N)=[N+]1[O-])[Si](C)(C)C(C)(C)C2784.9Standard non polar33892256
Minoxidil,2TBDMS,isomer #3CC(C)(C)[Si](C)(C)N(C1=NC(N2CCCCC2)=CC(N)=[N+]1[O-])[Si](C)(C)C(C)(C)C3188.2Standard polar33892256
Minoxidil,3TBDMS,isomer #1CC(C)(C)[Si](C)(C)NC1=NC(N2CCCCC2)=CC(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=[N+]1[O-]2965.2Semi standard non polar33892256
Minoxidil,3TBDMS,isomer #1CC(C)(C)[Si](C)(C)NC1=NC(N2CCCCC2)=CC(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=[N+]1[O-]3097.0Standard non polar33892256
Minoxidil,3TBDMS,isomer #1CC(C)(C)[Si](C)(C)NC1=NC(N2CCCCC2)=CC(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=[N+]1[O-]3029.4Standard polar33892256
Minoxidil,3TBDMS,isomer #2CC(C)(C)[Si](C)(C)NC1=CC(N2CCCCC2)=NC(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=[N+]1[O-]2961.0Semi standard non polar33892256
Minoxidil,3TBDMS,isomer #2CC(C)(C)[Si](C)(C)NC1=CC(N2CCCCC2)=NC(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=[N+]1[O-]3094.0Standard non polar33892256
Minoxidil,3TBDMS,isomer #2CC(C)(C)[Si](C)(C)NC1=CC(N2CCCCC2)=NC(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=[N+]1[O-]3021.9Standard polar33892256
Minoxidil,4TBDMS,isomer #1CC(C)(C)[Si](C)(C)N(C1=CC(N2CCCCC2)=NC(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=[N+]1[O-])[Si](C)(C)C(C)(C)C3127.2Semi standard non polar33892256
Minoxidil,4TBDMS,isomer #1CC(C)(C)[Si](C)(C)N(C1=CC(N2CCCCC2)=NC(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=[N+]1[O-])[Si](C)(C)C(C)(C)C3394.3Standard non polar33892256
Minoxidil,4TBDMS,isomer #1CC(C)(C)[Si](C)(C)N(C1=CC(N2CCCCC2)=NC(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=[N+]1[O-])[Si](C)(C)C(C)(C)C2917.2Standard polar33892256
Spectra

GC-MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Experimental GC-MSGC-MS Spectrum - Minoxidil GC-EI-TOF (Non-derivatized)splash10-0002-6953000000-742e0f214f512eecd1842017-09-12HMDB team, MONA, MassBankView Spectrum
Experimental GC-MSGC-MS Spectrum - Minoxidil GC-EI-TOF (Non-derivatized)splash10-00di-9432000000-6fff92eb2f75daf5b7722017-09-12HMDB team, MONA, MassBankView Spectrum
Experimental GC-MSGC-MS Spectrum - Minoxidil GC-EI-TOF (Non-derivatized)splash10-0002-6953000000-742e0f214f512eecd1842018-05-18HMDB team, MONA, MassBankView Spectrum
Experimental GC-MSGC-MS Spectrum - Minoxidil GC-EI-TOF (Non-derivatized)splash10-00di-9432000000-6fff92eb2f75daf5b7722018-05-18HMDB team, MONA, MassBankView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Minoxidil GC-MS (Non-derivatized) - 70eV, Positivesplash10-053u-4910000000-81354ee039c26b1c7d742017-09-01Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Minoxidil GC-MS (Non-derivatized) - 70eV, PositiveNot Available2021-10-12Wishart LabView Spectrum

MS/MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Experimental LC-MS/MSLC-MS/MS Spectrum - Minoxidil LC-ESI-qTof , Positive-QTOFsplash10-03di-2960000000-6ce9f8facf6478d7f7ea2017-09-14HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Minoxidil LC-ESI-QQ , negative-QTOFsplash10-0a4i-0090000000-674539ce0a58d8d1138e2017-09-14HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Minoxidil LC-ESI-QQ , negative-QTOFsplash10-0a59-9680000000-8c6bee8b5f24585d89262017-09-14HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Minoxidil LC-ESI-QQ , negative-QTOFsplash10-0a4l-9610000000-44aa7ff70200e0521eef2017-09-14HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Minoxidil LC-ESI-QQ , negative-QTOFsplash10-0a4j-9100000000-77920bdc992ad8a2f9bd2017-09-14HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Minoxidil LC-ESI-QQ , negative-QTOFsplash10-03dl-9000000000-4d4c7019be9b77462d2e2017-09-14HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Minoxidil LC-ESI-QQ , positive-QTOFsplash10-03di-0090000000-86dd850029e96dce7cb42017-09-14HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Minoxidil LC-ESI-QQ , positive-QTOFsplash10-03dl-0950000000-f76a21fbbfffb939b2702017-09-14HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Minoxidil LC-ESI-QQ , positive-QTOFsplash10-03di-1900000000-9609dde96093ce0602dc2017-09-14HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Minoxidil LC-ESI-QQ , positive-QTOFsplash10-03di-3900000000-f5138ae7a1ba6d04c54a2017-09-14HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Minoxidil LC-ESI-QQ , positive-QTOFsplash10-01q9-9800000000-1a8a598ebb2e2427f97f2017-09-14HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Minoxidil LC-ESI-IT , positive-QTOFsplash10-0006-0920000000-226902b0b5e18eaca0832017-09-14HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Minoxidil , positive-QTOFsplash10-03di-2960000000-6ce9f8facf6478d7f7ea2017-09-14HMDB team, MONAView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Minoxidil 10V, Positive-QTOFsplash10-03di-0090000000-b555cbb69de7315646532016-08-01Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Minoxidil 20V, Positive-QTOFsplash10-03dj-2890000000-2f17544c7bb461700de32016-08-01Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Minoxidil 40V, Positive-QTOFsplash10-0a4l-9200000000-3ba952a7983d32c46a042016-08-01Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Minoxidil 10V, Negative-QTOFsplash10-0a4j-0890000000-613fa1f07b3b2f1181c62016-08-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Minoxidil 20V, Negative-QTOFsplash10-002b-1910000000-9433f9f82c5d6abae1252016-08-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Minoxidil 40V, Negative-QTOFsplash10-001i-9200000000-96830ec54208ab9a69612016-08-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Minoxidil 10V, Negative-QTOFsplash10-0a4i-0090000000-a6c3dcb6c4a5dea3385d2021-09-24Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Minoxidil 20V, Negative-QTOFsplash10-0a4l-3910000000-699aec6079d9dd23a40a2021-09-24Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Minoxidil 40V, Negative-QTOFsplash10-052f-9400000000-b7356fe63abaac3ab2042021-09-24Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Minoxidil 10V, Positive-QTOFsplash10-03di-0090000000-97a8ab5aa10f1b3487682021-09-24Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Minoxidil 20V, Positive-QTOFsplash10-01ox-0940000000-8ab2a87cd70096fc221c2021-09-24Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Minoxidil 40V, Positive-QTOFsplash10-0lxx-5900000000-cd9c1f56c3ebfeeadbed2021-09-24Wishart LabView Spectrum

NMR Spectra

Spectrum TypeDescriptionDeposition DateSourceView
Predicted 1D NMR13C NMR Spectrum (1D, 100 MHz, D2O, predicted)2021-09-29Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 100 MHz, D2O, predicted)2021-09-29Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 1000 MHz, D2O, predicted)2021-09-29Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 1000 MHz, D2O, predicted)2021-09-29Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 200 MHz, D2O, predicted)2021-09-29Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 200 MHz, D2O, predicted)2021-09-29Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 300 MHz, D2O, predicted)2021-09-29Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 300 MHz, D2O, predicted)2021-09-29Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 400 MHz, D2O, predicted)2021-09-29Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 400 MHz, D2O, predicted)2021-09-29Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 500 MHz, D2O, predicted)2021-09-29Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 500 MHz, D2O, predicted)2021-09-29Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 600 MHz, D2O, predicted)2021-09-29Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 600 MHz, D2O, predicted)2021-09-29Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 700 MHz, D2O, predicted)2021-09-29Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 700 MHz, D2O, predicted)2021-09-29Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 800 MHz, D2O, predicted)2021-09-29Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 800 MHz, D2O, predicted)2021-09-29Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 900 MHz, D2O, predicted)2021-09-29Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 900 MHz, D2O, predicted)2021-09-29Wishart LabView Spectrum
Biological Properties
Cellular Locations
  • Cytoplasm
  • Membrane
Biospecimen Locations
  • Blood
  • Urine
Tissue LocationsNot Available
Pathways
Normal Concentrations
BiospecimenStatusValueAgeSexConditionReferenceDetails
BloodExpected but not QuantifiedNot QuantifiedNot AvailableNot AvailableTaking drug identified by DrugBank entry DB00350 details
UrineExpected but not QuantifiedNot QuantifiedNot AvailableNot AvailableTaking drug identified by DrugBank entry DB00350 details
Abnormal Concentrations
Not Available
Associated Disorders and Diseases
Disease ReferencesNone
Associated OMIM IDsNone
DrugBank IDDB00350
Phenol Explorer Compound IDNot Available
FooDB IDNot Available
KNApSAcK IDNot Available
Chemspider ID10438564
KEGG Compound IDNot Available
BioCyc IDNot Available
BiGG IDNot Available
Wikipedia LinkMinoxidil
METLIN IDNot Available
PubChem CompoundNot Available
PDB IDNot Available
ChEBI ID6942
Food Biomarker OntologyNot Available
VMH IDNot Available
MarkerDB IDNot Available
Good Scents IDNot Available
References
Synthesis ReferenceNot Available
Material Safety Data Sheet (MSDS)Download (PDF)
General References
  1. Olsen EA, Whiting D, Bergfeld W, Miller J, Hordinsky M, Wanser R, Zhang P, Kohut B: A multicenter, randomized, placebo-controlled, double-blind clinical trial of a novel formulation of 5% minoxidil topical foam versus placebo in the treatment of androgenetic alopecia in men. J Am Acad Dermatol. 2007 Nov;57(5):767-74. Epub 2007 Aug 29. [PubMed:17761356 ]

Enzymes

General function:
Involved in peroxidase activity
Specific function:
May play an important role in regulating or promoting cell proliferation in some normal and neoplastically transformed cells.
Gene Name:
PTGS1
Uniprot ID:
P23219
Molecular weight:
68685.82
References
  1. Kurbel S, Kurbel B, Zanic-Matanic D: Minoxidil and male-pattern alopecia: a potential role for a local regulator of sebum secretion with vasoconstrictive effects? Med Hypotheses. 1999 Nov;53(5):402-6. [PubMed:10616041 ]
  2. Gaffar A, Scherl D, Afflitto J, Coleman EJ: The effect of triclosan on mediators of gingival inflammation. J Clin Periodontol. 1995 Jun;22(6):480-4. [PubMed:7560228 ]
  3. Michelet JF, Commo S, Billoni N, Mahe YF, Bernard BA: Activation of cytoprotective prostaglandin synthase-1 by minoxidil as a possible explanation for its hair growth-stimulating effect. J Invest Dermatol. 1997 Feb;108(2):205-9. [PubMed:9008235 ]
General function:
Involved in inward rectifier potassium channel activity
Specific function:
In the kidney, probably plays a major role in potassium homeostasis. Inward rectifier potassium channels are characterized by a greater tendency to allow potassium to flow into the cell rather than out of it. Their voltage dependence is regulated by the concentration of extracellular potassium; as external potassium is raised, the voltage range of the channel opening shifts to more positive voltages. The inward rectification is mainly due to the blockage of outward current by internal magnesium. This channel is activated by internal ATP and can be blocked by external barium
Gene Name:
KCNJ1
Uniprot ID:
P48048
Molecular weight:
44794.6
References
  1. 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 ]
  2. 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 ]
  3. Kirsten R, Nelson K, Kirsten D, Heintz B: Clinical pharmacokinetics of vasodilators. Part I. Clin Pharmacokinet. 1998 Jun;34(6):457-82. [PubMed:9646008 ]
  4. Evans JM, Allan AK, Davies SA, Dow JA: Sulphonylurea sensitivity and enriched expression implicate inward rectifier K+ channels in Drosophila melanogaster renal function. J Exp Biol. 2005 Oct;208(Pt 19):3771-83. [PubMed:16169954 ]
  5. Loffler-Walz C, Quast U: Binding of K(ATP) channel modulators in rat cardiac membranes. Br J Pharmacol. 1998 Apr;123(7):1395-402. [PubMed:9579735 ]
  6. Bray KM, Quast U: A specific binding site for K+ channel openers in rat aorta. J Biol Chem. 1992 Jun 15;267(17):11689-92. [PubMed:1601843 ]
  7. Black KL, Yin D, Konda BM, Wang X, Hu J, Ko MK, Bayan JA, Sacapano MR, Espinoza AJ, Ong JM, Irvin D, Shu Y: Different effects of KCa and KATP agonists on brain tumor permeability between syngeneic and allogeneic rat models. Brain Res. 2008 Aug 28;1227:198-206. doi: 10.1016/j.brainres.2008.06.046. Epub 2008 Jun 21. [PubMed:18602898 ]