CHEBI:31370 - cefmenoxime hydrochloride

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name cefmenoxime hydrochloride
ChEBI ID CHEBI:31370
Definition The hemihydrochloride salt of cefmenoxime.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formulae 2C16H17N9O5S3.HCl
C32H35ClN18O10S6
Net Charge 0
Average Mass 1059.57800
Monoisotopic Mass 1058.07963
InChI InChI=1S/2C16H17N9O5S3.ClH/c2*1-24-16(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;/h2*5,9,13H,3-4H2,1-2H3,(H2,17,18)(H,19,26)(H,28,29);1H/b2*21-8-;/t2*9-,13-;/m11./s1
InChIKey MPTNDTIREFCQLK-UNVJPQNDSA-N
SMILES [H+].[Cl-].[H][C@]12SCC(CSc3nnnn3C)=C(N1C(=O)[C@H]2NC(=O)C(=N/OC)\c1csc(N)n1)C(O)=O.[H][C@]12SCC(CSc3nnnn3C)=C(N1C(=O)[C@H]2NC(=O)C(=N/OC)\c1csc(N)n1)C(O)=O
ChEBI Ontology
Outgoing cefmenoxime hydrochloride (CHEBI:31370) has part cefmenoxime (CHEBI:55490)
cefmenoxime hydrochloride (CHEBI:31370) is a hydrochloride (CHEBI:36807)
IUPAC Names
(6R,7R)-7-{[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-(methoxyimino)acetyl]amino}-3-{[(1-methyl-1H-tetrazol-5-yl)sulfanyl]methyl}-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid hydrochloride (2:1)
7β-{[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-(methoxyimino)acetyl]amino}-3-{[(1-methyl-1H-tetrazol-5-yl)sulfanyl]methyl}-3,4-didehydropenam-4-carboxylic acid hydrochloride (2:1)
Synonyms Sources
Cefmenoxime HCl ChemIDplus
Cefmenoxime hemihydrochloride ChemIDplus
CMX KEGG DRUG
Manual Xref Database
D01739 KEGG DRUG
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Registry Numbers Types Sources
5710303 Beilstein Registry Number Beilstein
75738-58-8 CAS Registry Number ChemIDplus
75738-58-8 CAS Registry Number KEGG DRUG
Last Modified
06 May 2010