Record Information |
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Version | 5.0 |
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Status | Expected but not Quantified |
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Creation Date | 2012-09-06 15:16:49 UTC |
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Update Date | 2022-03-07 02:51:36 UTC |
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HMDB ID | HMDB0014412 |
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Secondary Accession Numbers | |
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Metabolite Identification |
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Common Name | Cefmenoxime |
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Description | Cefmenoxime is only found in individuals that have used or taken this drug. It is a third-generation cephalosporin antibiotic. [Wikipedia ]The bactericidal activity of cefmenoxime results from the inhibition of cell wall synthesis via affinity for penicillin-binding proteins (PBPs). Cefmenoxime is stable in the presence of a variety of b-lactamases, including penicillinases and some cephalosporinases. |
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Structure | [H][C@]12SCC(CSC3=NN=NN3C)=C(N1C(=O)[C@H]2NC(=O)C(=N/OC)\C1=CSC(N)=N1)C(O)=O InChI=1S/C16H17N9O5S3/c1-24-16(20-22-23-24)33-4-6-3-31-13-9(12(27)25(13)10(6)14(28)29)19-11(26)8(21-30-2)7-5-32-15(17)18-7/h5,9,13H,3-4H2,1-2H3,(H2,17,18)(H,19,26)(H,28,29)/b21-8-/t9-,13-/m1/s1 |
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Synonyms | Value | Source |
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(6R,7R)-7-((Z)-2-(2-Amino-4-thiazolyl)-2-methoxyiminoacetamido)-3-((1-methyl-1H-5-tetraazolylthio)methyl)-8-oxo-5-thia-1-azabicyclo(4.2.0)oct-2-en-2-carbonsaeure | ChEBI | (6R,7R)-7-[[(2E)-2-(2-Amino-1,3-thiazol-4-yl)-2-methoxyiminoacetyl]amino]-3-[(1-methyltetrazol-5-yl)sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid (iupac) | ChEBI | Cefmenoxima | ChEBI | Cefmenoximum | ChEBI | CMX | ChEBI | (6R,7R)-7-[[(2E)-2-(2-Amino-1,3-thiazol-4-yl)-2-methoxyiminoacetyl]amino]-3-[(1-methyltetrazol-5-yl)sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate (iupac) | Generator | (6R,7R)-7-[[(2E)-2-(2-Amino-1,3-thiazol-4-yl)-2-methoxyiminoacetyl]amino]-3-[(1-methyltetrazol-5-yl)sulphanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate (iupac) | Generator | (6R,7R)-7-[[(2E)-2-(2-Amino-1,3-thiazol-4-yl)-2-methoxyiminoacetyl]amino]-3-[(1-methyltetrazol-5-yl)sulphanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid (iupac) | Generator | Abbott 50192 | HMDB | Abbott-50192 | HMDB | Cefmenoxime hydrochloride | HMDB | Cefmenoxime hydrochloride (2:1) | HMDB | Hydrochloride, cefmenoxime | HMDB | Abbott50192 | HMDB | Cefmax | HMDB |
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Chemical Formula | C16H17N9O5S3 |
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Average Molecular Weight | 511.558 |
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Monoisotopic Molecular Weight | 511.051476769 |
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IUPAC Name | (6R,7R)-7-[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-(methoxyimino)acetamido]-3-{[(1-methyl-1H-1,2,3,4-tetrazol-5-yl)sulfanyl]methyl}-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid |
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Traditional Name | cefmenoxime |
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CAS Registry Number | 65085-01-0 |
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SMILES | [H][C@]12SCC(CSC3=NN=NN3C)=C(N1C(=O)[C@H]2NC(=O)C(=N/OC)\C1=CSC(N)=N1)C(O)=O |
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InChI Identifier | InChI=1S/C16H17N9O5S3/c1-24-16(20-22-23-24)33-4-6-3-31-13-9(12(27)25(13)10(6)14(28)29)19-11(26)8(21-30-2)7-5-32-15(17)18-7/h5,9,13H,3-4H2,1-2H3,(H2,17,18)(H,19,26)(H,28,29)/b21-8-/t9-,13-/m1/s1 |
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InChI Key | HJJDBAOLQAWBMH-YCRCPZNHSA-N |
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Chemical Taxonomy |
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Description | Belongs to the class of organic compounds known as cephalosporins. Cephalosporins are compounds containing a 1,2-thiazine fused to a 2-azetidinone to for a oxo-5-thia-1-azabicyclo[4.2.0]Oct-2-ene-2-carboxylic acid moiety or a derivative thereof. |
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Kingdom | Organic compounds |
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Super Class | Organoheterocyclic compounds |
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Class | Lactams |
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Sub Class | Beta lactams |
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Direct Parent | Cephalosporins |
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Alternative Parents | |
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Substituents | - Cephalosporin
- N-acyl-alpha amino acid or derivatives
- Alpha-amino acid or derivatives
- Aryl thioether
- 2,4-disubstituted 1,3-thiazole
- Alkylarylthioether
- Meta-thiazine
- 1,3-thiazol-2-amine
- Azole
- Heteroaromatic compound
- Tertiary carboxylic acid amide
- Tetrazole
- Thiazole
- Amino acid or derivatives
- Azetidine
- Carboxamide group
- Amino acid
- Secondary carboxylic acid amide
- Hemithioaminal
- Thioether
- Sulfenyl compound
- Dialkylthioether
- Azacycle
- Carboxylic acid derivative
- Monocarboxylic acid or derivatives
- Carboxylic acid
- Organic nitrogen compound
- Amine
- Hydrocarbon derivative
- Organopnictogen compound
- Carbonyl group
- Organic oxide
- Organic oxygen compound
- Organonitrogen compound
- Organooxygen compound
- Organosulfur compound
- Primary amine
- Aromatic heteropolycyclic compound
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Molecular Framework | Aromatic heteropolycyclic compounds |
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External Descriptors | |
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Ontology |
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Physiological effect | Not Available |
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Disposition | |
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Process | Not Available |
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Role | Not Available |
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Physical Properties |
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State | Solid |
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Experimental Molecular Properties | Property | Value | Reference |
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Melting Point | Not Available | Not Available | Boiling Point | Not Available | Not Available | Water Solubility | 0.45 g/L | Not Available | LogP | -1.3 | Not Available |
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Experimental Chromatographic Properties | Not Available |
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Predicted Molecular Properties | | Show more...
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Predicted Chromatographic Properties | Predicted Collision Cross SectionsPredicted Kovats Retention IndicesUnderivatizedDerivatizedDerivative Name / Structure | SMILES | Kovats RI Value | Column Type | Reference |
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Cefmenoxime,1TMS,isomer #1 | CO/N=C(\C(=O)N[C@@H]1C(=O)N2C(C(=O)O[Si](C)(C)C)=C(CSC3=NN=NN3C)CS[C@H]12)C1=CSC(N)=N1 | 4663.2 | Semi standard non polar | 33892256 | Cefmenoxime,1TMS,isomer #2 | CO/N=C(\C(=O)N[C@@H]1C(=O)N2C(C(=O)O)=C(CSC3=NN=NN3C)CS[C@H]12)C1=CSC(N[Si](C)(C)C)=N1 | 4752.9 | Semi standard non polar | 33892256 | Cefmenoxime,1TMS,isomer #3 | CO/N=C(\C(=O)N([C@@H]1C(=O)N2C(C(=O)O)=C(CSC3=NN=NN3C)CS[C@H]12)[Si](C)(C)C)C1=CSC(N)=N1 | 4551.2 | Semi standard non polar | 33892256 | Cefmenoxime,2TMS,isomer #1 | CO/N=C(\C(=O)N[C@@H]1C(=O)N2C(C(=O)O[Si](C)(C)C)=C(CSC3=NN=NN3C)CS[C@H]12)C1=CSC(N[Si](C)(C)C)=N1 | 4628.9 | Semi standard non polar | 33892256 | Cefmenoxime,2TMS,isomer #1 | CO/N=C(\C(=O)N[C@@H]1C(=O)N2C(C(=O)O[Si](C)(C)C)=C(CSC3=NN=NN3C)CS[C@H]12)C1=CSC(N[Si](C)(C)C)=N1 | 3695.7 | Standard non polar | 33892256 | Cefmenoxime,2TMS,isomer #1 | CO/N=C(\C(=O)N[C@@H]1C(=O)N2C(C(=O)O[Si](C)(C)C)=C(CSC3=NN=NN3C)CS[C@H]12)C1=CSC(N[Si](C)(C)C)=N1 | 8041.7 | Standard polar | 33892256 | Cefmenoxime,2TMS,isomer #2 | CO/N=C(\C(=O)N([C@@H]1C(=O)N2C(C(=O)O[Si](C)(C)C)=C(CSC3=NN=NN3C)CS[C@H]12)[Si](C)(C)C)C1=CSC(N)=N1 | 4424.5 | Semi standard non polar | 33892256 | Cefmenoxime,2TMS,isomer #2 | CO/N=C(\C(=O)N([C@@H]1C(=O)N2C(C(=O)O[Si](C)(C)C)=C(CSC3=NN=NN3C)CS[C@H]12)[Si](C)(C)C)C1=CSC(N)=N1 | 3729.0 | Standard non polar | 33892256 | Cefmenoxime,2TMS,isomer #2 | CO/N=C(\C(=O)N([C@@H]1C(=O)N2C(C(=O)O[Si](C)(C)C)=C(CSC3=NN=NN3C)CS[C@H]12)[Si](C)(C)C)C1=CSC(N)=N1 | 7560.4 | Standard polar | 33892256 | Cefmenoxime,2TMS,isomer #3 | CO/N=C(\C(=O)N([C@@H]1C(=O)N2C(C(=O)O)=C(CSC3=NN=NN3C)CS[C@H]12)[Si](C)(C)C)C1=CSC(N[Si](C)(C)C)=N1 | 4508.3 | Semi standard non polar | 33892256 | Cefmenoxime,2TMS,isomer #3 | CO/N=C(\C(=O)N([C@@H]1C(=O)N2C(C(=O)O)=C(CSC3=NN=NN3C)CS[C@H]12)[Si](C)(C)C)C1=CSC(N[Si](C)(C)C)=N1 | 3772.8 | Standard non polar | 33892256 | Cefmenoxime,2TMS,isomer #3 | CO/N=C(\C(=O)N([C@@H]1C(=O)N2C(C(=O)O)=C(CSC3=NN=NN3C)CS[C@H]12)[Si](C)(C)C)C1=CSC(N[Si](C)(C)C)=N1 | 7572.2 | Standard polar | 33892256 | Cefmenoxime,2TMS,isomer #4 | CO/N=C(\C(=O)N[C@@H]1C(=O)N2C(C(=O)O)=C(CSC3=NN=NN3C)CS[C@H]12)C1=CSC(N([Si](C)(C)C)[Si](C)(C)C)=N1 | 4574.7 | Semi standard non polar | 33892256 | Cefmenoxime,2TMS,isomer #4 | CO/N=C(\C(=O)N[C@@H]1C(=O)N2C(C(=O)O)=C(CSC3=NN=NN3C)CS[C@H]12)C1=CSC(N([Si](C)(C)C)[Si](C)(C)C)=N1 | 3838.7 | Standard non polar | 33892256 | Cefmenoxime,2TMS,isomer #4 | CO/N=C(\C(=O)N[C@@H]1C(=O)N2C(C(=O)O)=C(CSC3=NN=NN3C)CS[C@H]12)C1=CSC(N([Si](C)(C)C)[Si](C)(C)C)=N1 | 7807.3 | Standard polar | 33892256 | Cefmenoxime,3TMS,isomer #1 | CO/N=C(\C(=O)N([C@@H]1C(=O)N2C(C(=O)O[Si](C)(C)C)=C(CSC3=NN=NN3C)CS[C@H]12)[Si](C)(C)C)C1=CSC(N[Si](C)(C)C)=N1 | 4419.4 | Semi standard non polar | 33892256 | Cefmenoxime,3TMS,isomer #1 | CO/N=C(\C(=O)N([C@@H]1C(=O)N2C(C(=O)O[Si](C)(C)C)=C(CSC3=NN=NN3C)CS[C@H]12)[Si](C)(C)C)C1=CSC(N[Si](C)(C)C)=N1 | 3735.5 | Standard non polar | 33892256 | Cefmenoxime,3TMS,isomer #1 | CO/N=C(\C(=O)N([C@@H]1C(=O)N2C(C(=O)O[Si](C)(C)C)=C(CSC3=NN=NN3C)CS[C@H]12)[Si](C)(C)C)C1=CSC(N[Si](C)(C)C)=N1 | 7119.3 | Standard polar | 33892256 | Cefmenoxime,3TMS,isomer #2 | CO/N=C(\C(=O)N[C@@H]1C(=O)N2C(C(=O)O[Si](C)(C)C)=C(CSC3=NN=NN3C)CS[C@H]12)C1=CSC(N([Si](C)(C)C)[Si](C)(C)C)=N1 | 4522.3 | Semi standard non polar | 33892256 | Cefmenoxime,3TMS,isomer #2 | CO/N=C(\C(=O)N[C@@H]1C(=O)N2C(C(=O)O[Si](C)(C)C)=C(CSC3=NN=NN3C)CS[C@H]12)C1=CSC(N([Si](C)(C)C)[Si](C)(C)C)=N1 | 3779.7 | Standard non polar | 33892256 | Cefmenoxime,3TMS,isomer #2 | CO/N=C(\C(=O)N[C@@H]1C(=O)N2C(C(=O)O[Si](C)(C)C)=C(CSC3=NN=NN3C)CS[C@H]12)C1=CSC(N([Si](C)(C)C)[Si](C)(C)C)=N1 | 7490.6 | Standard polar | 33892256 | Cefmenoxime,3TMS,isomer #3 | CO/N=C(\C(=O)N([C@@H]1C(=O)N2C(C(=O)O)=C(CSC3=NN=NN3C)CS[C@H]12)[Si](C)(C)C)C1=CSC(N([Si](C)(C)C)[Si](C)(C)C)=N1 | 4386.9 | Semi standard non polar | 33892256 | Cefmenoxime,3TMS,isomer #3 | CO/N=C(\C(=O)N([C@@H]1C(=O)N2C(C(=O)O)=C(CSC3=NN=NN3C)CS[C@H]12)[Si](C)(C)C)C1=CSC(N([Si](C)(C)C)[Si](C)(C)C)=N1 | 3857.9 | Standard non polar | 33892256 | Cefmenoxime,3TMS,isomer #3 | CO/N=C(\C(=O)N([C@@H]1C(=O)N2C(C(=O)O)=C(CSC3=NN=NN3C)CS[C@H]12)[Si](C)(C)C)C1=CSC(N([Si](C)(C)C)[Si](C)(C)C)=N1 | 6975.8 | Standard polar | 33892256 | Cefmenoxime,4TMS,isomer #1 | CO/N=C(\C(=O)N([C@@H]1C(=O)N2C(C(=O)O[Si](C)(C)C)=C(CSC3=NN=NN3C)CS[C@H]12)[Si](C)(C)C)C1=CSC(N([Si](C)(C)C)[Si](C)(C)C)=N1 | 4354.0 | Semi standard non polar | 33892256 | Cefmenoxime,4TMS,isomer #1 | CO/N=C(\C(=O)N([C@@H]1C(=O)N2C(C(=O)O[Si](C)(C)C)=C(CSC3=NN=NN3C)CS[C@H]12)[Si](C)(C)C)C1=CSC(N([Si](C)(C)C)[Si](C)(C)C)=N1 | 3831.3 | Standard non polar | 33892256 | Cefmenoxime,4TMS,isomer #1 | CO/N=C(\C(=O)N([C@@H]1C(=O)N2C(C(=O)O[Si](C)(C)C)=C(CSC3=NN=NN3C)CS[C@H]12)[Si](C)(C)C)C1=CSC(N([Si](C)(C)C)[Si](C)(C)C)=N1 | 6601.9 | Standard polar | 33892256 | Cefmenoxime,1TBDMS,isomer #1 | CO/N=C(\C(=O)N[C@@H]1C(=O)N2C(C(=O)O[Si](C)(C)C(C)(C)C)=C(CSC3=NN=NN3C)CS[C@H]12)C1=CSC(N)=N1 | 4871.2 | Semi standard non polar | 33892256 | Cefmenoxime,1TBDMS,isomer #2 | CO/N=C(\C(=O)N[C@@H]1C(=O)N2C(C(=O)O)=C(CSC3=NN=NN3C)CS[C@H]12)C1=CSC(N[Si](C)(C)C(C)(C)C)=N1 | 4916.2 | Semi standard non polar | 33892256 | Cefmenoxime,1TBDMS,isomer #3 | CO/N=C(\C(=O)N([C@@H]1C(=O)N2C(C(=O)O)=C(CSC3=NN=NN3C)CS[C@H]12)[Si](C)(C)C(C)(C)C)C1=CSC(N)=N1 | 4765.1 | Semi standard non polar | 33892256 | Cefmenoxime,2TBDMS,isomer #1 | CO/N=C(\C(=O)N[C@@H]1C(=O)N2C(C(=O)O[Si](C)(C)C(C)(C)C)=C(CSC3=NN=NN3C)CS[C@H]12)C1=CSC(N[Si](C)(C)C(C)(C)C)=N1 | 4939.8 | Semi standard non polar | 33892256 | Cefmenoxime,2TBDMS,isomer #1 | CO/N=C(\C(=O)N[C@@H]1C(=O)N2C(C(=O)O[Si](C)(C)C(C)(C)C)=C(CSC3=NN=NN3C)CS[C@H]12)C1=CSC(N[Si](C)(C)C(C)(C)C)=N1 | 4123.8 | Standard non polar | 33892256 | Cefmenoxime,2TBDMS,isomer #1 | CO/N=C(\C(=O)N[C@@H]1C(=O)N2C(C(=O)O[Si](C)(C)C(C)(C)C)=C(CSC3=NN=NN3C)CS[C@H]12)C1=CSC(N[Si](C)(C)C(C)(C)C)=N1 | 7678.8 | Standard polar | 33892256 | Cefmenoxime,2TBDMS,isomer #2 | CO/N=C(\C(=O)N([C@@H]1C(=O)N2C(C(=O)O[Si](C)(C)C(C)(C)C)=C(CSC3=NN=NN3C)CS[C@H]12)[Si](C)(C)C(C)(C)C)C1=CSC(N)=N1 | 4802.1 | Semi standard non polar | 33892256 | Cefmenoxime,2TBDMS,isomer #2 | CO/N=C(\C(=O)N([C@@H]1C(=O)N2C(C(=O)O[Si](C)(C)C(C)(C)C)=C(CSC3=NN=NN3C)CS[C@H]12)[Si](C)(C)C(C)(C)C)C1=CSC(N)=N1 | 4137.7 | Standard non polar | 33892256 | Cefmenoxime,2TBDMS,isomer #2 | CO/N=C(\C(=O)N([C@@H]1C(=O)N2C(C(=O)O[Si](C)(C)C(C)(C)C)=C(CSC3=NN=NN3C)CS[C@H]12)[Si](C)(C)C(C)(C)C)C1=CSC(N)=N1 | 7338.1 | Standard polar | 33892256 | Cefmenoxime,2TBDMS,isomer #3 | CO/N=C(\C(=O)N([C@@H]1C(=O)N2C(C(=O)O)=C(CSC3=NN=NN3C)CS[C@H]12)[Si](C)(C)C(C)(C)C)C1=CSC(N[Si](C)(C)C(C)(C)C)=N1 | 4826.3 | Semi standard non polar | 33892256 | Cefmenoxime,2TBDMS,isomer #3 | CO/N=C(\C(=O)N([C@@H]1C(=O)N2C(C(=O)O)=C(CSC3=NN=NN3C)CS[C@H]12)[Si](C)(C)C(C)(C)C)C1=CSC(N[Si](C)(C)C(C)(C)C)=N1 | 4199.0 | Standard non polar | 33892256 | Cefmenoxime,2TBDMS,isomer #3 | CO/N=C(\C(=O)N([C@@H]1C(=O)N2C(C(=O)O)=C(CSC3=NN=NN3C)CS[C@H]12)[Si](C)(C)C(C)(C)C)C1=CSC(N[Si](C)(C)C(C)(C)C)=N1 | 7203.4 | Standard polar | 33892256 | Cefmenoxime,2TBDMS,isomer #4 | CO/N=C(\C(=O)N[C@@H]1C(=O)N2C(C(=O)O)=C(CSC3=NN=NN3C)CS[C@H]12)C1=CSC(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=N1 | 4964.2 | Semi standard non polar | 33892256 | Cefmenoxime,2TBDMS,isomer #4 | CO/N=C(\C(=O)N[C@@H]1C(=O)N2C(C(=O)O)=C(CSC3=NN=NN3C)CS[C@H]12)C1=CSC(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=N1 | 4217.9 | Standard non polar | 33892256 | Cefmenoxime,2TBDMS,isomer #4 | CO/N=C(\C(=O)N[C@@H]1C(=O)N2C(C(=O)O)=C(CSC3=NN=NN3C)CS[C@H]12)C1=CSC(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=N1 | 7491.9 | Standard polar | 33892256 | Cefmenoxime,3TBDMS,isomer #1 | CO/N=C(\C(=O)N([C@@H]1C(=O)N2C(C(=O)O[Si](C)(C)C(C)(C)C)=C(CSC3=NN=NN3C)CS[C@H]12)[Si](C)(C)C(C)(C)C)C1=CSC(N[Si](C)(C)C(C)(C)C)=N1 | 4900.7 | Semi standard non polar | 33892256 | Cefmenoxime,3TBDMS,isomer #1 | CO/N=C(\C(=O)N([C@@H]1C(=O)N2C(C(=O)O[Si](C)(C)C(C)(C)C)=C(CSC3=NN=NN3C)CS[C@H]12)[Si](C)(C)C(C)(C)C)C1=CSC(N[Si](C)(C)C(C)(C)C)=N1 | 4314.6 | Standard non polar | 33892256 | Cefmenoxime,3TBDMS,isomer #1 | CO/N=C(\C(=O)N([C@@H]1C(=O)N2C(C(=O)O[Si](C)(C)C(C)(C)C)=C(CSC3=NN=NN3C)CS[C@H]12)[Si](C)(C)C(C)(C)C)C1=CSC(N[Si](C)(C)C(C)(C)C)=N1 | 6823.7 | Standard polar | 33892256 | Cefmenoxime,3TBDMS,isomer #2 | CO/N=C(\C(=O)N[C@@H]1C(=O)N2C(C(=O)O[Si](C)(C)C(C)(C)C)=C(CSC3=NN=NN3C)CS[C@H]12)C1=CSC(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=N1 | 5020.3 | Semi standard non polar | 33892256 | Cefmenoxime,3TBDMS,isomer #2 | CO/N=C(\C(=O)N[C@@H]1C(=O)N2C(C(=O)O[Si](C)(C)C(C)(C)C)=C(CSC3=NN=NN3C)CS[C@H]12)C1=CSC(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=N1 | 4327.4 | Standard non polar | 33892256 | Cefmenoxime,3TBDMS,isomer #2 | CO/N=C(\C(=O)N[C@@H]1C(=O)N2C(C(=O)O[Si](C)(C)C(C)(C)C)=C(CSC3=NN=NN3C)CS[C@H]12)C1=CSC(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=N1 | 7163.5 | Standard polar | 33892256 | Cefmenoxime,3TBDMS,isomer #3 | CO/N=C(\C(=O)N([C@@H]1C(=O)N2C(C(=O)O)=C(CSC3=NN=NN3C)CS[C@H]12)[Si](C)(C)C(C)(C)C)C1=CSC(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=N1 | 4907.3 | Semi standard non polar | 33892256 | Cefmenoxime,3TBDMS,isomer #3 | CO/N=C(\C(=O)N([C@@H]1C(=O)N2C(C(=O)O)=C(CSC3=NN=NN3C)CS[C@H]12)[Si](C)(C)C(C)(C)C)C1=CSC(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=N1 | 4414.8 | Standard non polar | 33892256 | Cefmenoxime,3TBDMS,isomer #3 | CO/N=C(\C(=O)N([C@@H]1C(=O)N2C(C(=O)O)=C(CSC3=NN=NN3C)CS[C@H]12)[Si](C)(C)C(C)(C)C)C1=CSC(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=N1 | 6655.3 | Standard polar | 33892256 |
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Spectra |
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| GC-MS SpectraSpectrum Type | Description | Splash Key | Deposition Date | Source | View |
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Predicted GC-MS | Predicted GC-MS Spectrum - Cefmenoxime GC-MS (Non-derivatized) - 70eV, Positive | splash10-0a4i-1945400000-72f36d4c6f6d9c1e3a50 | 2017-09-01 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - Cefmenoxime GC-MS (1 TMS) - 70eV, Positive | splash10-02ms-3449040000-6325f12291f955a3f7ca | 2017-10-06 | Wishart Lab | View Spectrum |
MS/MS SpectraSpectrum Type | Description | Splash Key | Deposition Date | Source | View |
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Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - Cefmenoxime 10V, Positive-QTOF | splash10-0096-1092410000-950d197f499c1d95b55f | 2016-08-03 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - Cefmenoxime 20V, Positive-QTOF | splash10-05bb-7296100000-bd0ee3d042cbe747bb4b | 2016-08-03 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - Cefmenoxime 40V, Positive-QTOF | splash10-006t-7191100000-0d4903a879411cad0b8e | 2016-08-03 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - Cefmenoxime 10V, Negative-QTOF | splash10-014r-1790210000-9ed707ebb4303fdd4bc1 | 2016-08-03 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - Cefmenoxime 20V, Negative-QTOF | splash10-0aor-9830000000-2dea4625133436d761a0 | 2016-08-03 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - Cefmenoxime 40V, Negative-QTOF | splash10-052f-9300000000-760eab5c414683fc8c03 | 2016-08-03 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - Cefmenoxime 10V, Positive-QTOF | splash10-03dj-0029180000-5093eb577e1809ed59c9 | 2021-09-24 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - Cefmenoxime 20V, Positive-QTOF | splash10-03e9-0491430000-e8ea4001adac160f5357 | 2021-09-24 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - Cefmenoxime 40V, Positive-QTOF | splash10-0fb9-0922400000-7180ce800ab10bcc3115 | 2021-09-24 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - Cefmenoxime 10V, Negative-QTOF | splash10-03xr-0510090000-f965a15d60dcaffdabbc | 2021-09-24 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - Cefmenoxime 20V, Negative-QTOF | splash10-014i-2930010000-b514d4f8bf7bd2415319 | 2021-09-24 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - Cefmenoxime 40V, Negative-QTOF | splash10-06di-7900100000-310ae12964bcb4b8d87a | 2021-09-24 | Wishart Lab | View Spectrum |
NMR SpectraSpectrum Type | Description | Deposition Date | Source | View |
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Predicted 1D NMR | 1H NMR Spectrum (1D, 100 MHz, D2O, predicted) | 2021-09-25 | Wishart Lab | View Spectrum | Predicted 1D NMR | 13C NMR Spectrum (1D, 100 MHz, D2O, predicted) | 2021-09-25 | Wishart Lab | View Spectrum | Predicted 1D NMR | 1H NMR Spectrum (1D, 1000 MHz, D2O, predicted) | 2021-09-25 | Wishart Lab | View Spectrum | Predicted 1D NMR | 13C NMR Spectrum (1D, 1000 MHz, D2O, predicted) | 2021-09-25 | Wishart Lab | View Spectrum | Predicted 1D NMR | 1H NMR Spectrum (1D, 200 MHz, D2O, predicted) | 2021-09-25 | Wishart Lab | View Spectrum | Predicted 1D NMR | 13C NMR Spectrum (1D, 200 MHz, D2O, predicted) | 2021-09-25 | Wishart Lab | View Spectrum | Predicted 1D NMR | 1H NMR Spectrum (1D, 300 MHz, D2O, predicted) | 2021-09-25 | Wishart Lab | View Spectrum | Predicted 1D NMR | 13C NMR Spectrum (1D, 300 MHz, D2O, predicted) | 2021-09-25 | Wishart Lab | View Spectrum | Predicted 1D NMR | 1H NMR Spectrum (1D, 400 MHz, D2O, predicted) | 2021-09-25 | Wishart Lab | View Spectrum | Predicted 1D NMR | 13C NMR Spectrum (1D, 400 MHz, D2O, predicted) | 2021-09-25 | Wishart Lab | View Spectrum | Predicted 1D NMR | 1H NMR Spectrum (1D, 500 MHz, D2O, predicted) | 2021-09-25 | Wishart Lab | View Spectrum | Predicted 1D NMR | 13C NMR Spectrum (1D, 500 MHz, D2O, predicted) | 2021-09-25 | Wishart Lab | View Spectrum | Predicted 1D NMR | 1H NMR Spectrum (1D, 600 MHz, D2O, predicted) | 2021-09-25 | Wishart Lab | View Spectrum | Predicted 1D NMR | 13C NMR Spectrum (1D, 600 MHz, D2O, predicted) | 2021-09-25 | Wishart Lab | View Spectrum | Predicted 1D NMR | 1H NMR Spectrum (1D, 700 MHz, D2O, predicted) | 2021-09-25 | Wishart Lab | View Spectrum | Predicted 1D NMR | 13C NMR Spectrum (1D, 700 MHz, D2O, predicted) | 2021-09-25 | Wishart Lab | View Spectrum | Predicted 1D NMR | 1H NMR Spectrum (1D, 800 MHz, D2O, predicted) | 2021-09-25 | Wishart Lab | View Spectrum | Predicted 1D NMR | 13C NMR Spectrum (1D, 800 MHz, D2O, predicted) | 2021-09-25 | Wishart Lab | View Spectrum | Predicted 1D NMR | 1H NMR Spectrum (1D, 900 MHz, D2O, predicted) | 2021-09-25 | Wishart Lab | View Spectrum | Predicted 1D NMR | 13C NMR Spectrum (1D, 900 MHz, D2O, predicted) | 2021-09-25 | Wishart Lab | View Spectrum |
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Biological Properties |
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Cellular Locations | |
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Biospecimen Locations | |
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Tissue Locations | Not Available |
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Pathways | |
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Normal Concentrations |
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Blood | Expected but not Quantified | Not Quantified | Not Available | Not Available | Taking drug identified by DrugBank entry DB00267 | | details | Urine | Expected but not Quantified | Not Quantified | Not Available | Not Available | Taking drug identified by DrugBank entry DB00267 | | details |
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Abnormal Concentrations |
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| Not Available |
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Associated Disorders and Diseases |
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Disease References | None |
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Associated OMIM IDs | None |
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External Links |
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DrugBank ID | DB00267 |
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Phenol Explorer Compound ID | Not Available |
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FooDB ID | Not Available |
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KNApSAcK ID | Not Available |
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Chemspider ID | 7845223 |
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KEGG Compound ID | Not Available |
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BioCyc ID | Not Available |
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BiGG ID | Not Available |
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Wikipedia Link | Cefmenoxime |
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METLIN ID | Not Available |
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PubChem Compound | 9570757 |
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PDB ID | Not Available |
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ChEBI ID | 55490 |
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Food Biomarker Ontology | Not Available |
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VMH ID | Not Available |
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MarkerDB ID | Not Available |
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Good Scents ID | Not Available |
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References |
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Synthesis Reference | Not Available |
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Material Safety Data Sheet (MSDS) | Not Available |
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General References | - Tsuchiya K, Kondo M, Kida M, Nakao M, Iwahi T, Nishi T, Noji Y, Takeuchi M, Nozaki Y: Cefmenoxime (SCE-1365), a novel broad-spectrum cephalosporin: in vitro and in vivo antibacterial activities. Antimicrob Agents Chemother. 1981 Jan;19(1):56-65. [PubMed:6941742 ]
- Yokota N, Koguchi M, Suzuki Y, Fukayama S, Ishihara R, Deguchi K, Oda S, Tanaka S, Nakane Y, Fukumoto T: [Antibacterial activities of cefmenoxime against recent fresh clinical isolates from patients in sinusitis]. Jpn J Antibiot. 1995 May;48(5):602-9. [PubMed:7637194 ]
- Duncker GI, Reich U, Krausse R: Cefmenoxime in corneal organ culture. Ophthalmologica. 1994;208(5):262-6. [PubMed:7816419 ]
- Paladino JA, Fell RE: Pharmacoeconomic analysis of cefmenoxime dual individualization in the treatment of nosocomial pneumonia. Ann Pharmacother. 1994 Mar;28(3):384-9. [PubMed:8193431 ]
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