CHEBI:31374 - cefotiam dihydrochloride

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ChEBI Name cefotiam dihydrochloride
ChEBI ID CHEBI:31374
Definition The dihydrochloride salt of cefotiam.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information No supplier information found for this compound.
Download Molfile XML SDF
Formula C18H25Cl2N9O4S3
Net Charge 0
Average Mass 598.55000
Monoisotopic Mass 597.05687
InChI InChI=1S/C18H23N9O4S3.2ClH/c1-25(2)3-4-26-18(22-23-24-26)34-7-9-6-32-15-12(14(29)27(15)13(9)16(30)31)21-11(28)5-10-8-33-17(19)20-10;;/h8,12,15H,3-7H2,1-2H3,(H2,19,20)(H,21,28)(H,30,31);2*1H/t12-,15-;;/m1../s1
InChIKey BWRRTAXZCKVRON-DGPOFWGLSA-N
SMILES Cl.Cl.[H][C@]12SCC(CSc3nnnn3CCN(C)C)=C(N1C(=O)[C@@]2([H])NC(=O)Cc1csc(N)n1)C(O)=O
Roles Classification
Biological Role(s): antibacterial drug
A drug used to treat or prevent bacterial infections.
Application(s): antibacterial drug
A drug used to treat or prevent bacterial infections.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing cefotiam dihydrochloride (CHEBI:31374) has part cefotiam (CHEBI:355510)
cefotiam dihydrochloride (CHEBI:31374) has role antibacterial drug (CHEBI:36047)
cefotiam dihydrochloride (CHEBI:31374) is a hydrochloride (CHEBI:36807)
IUPAC Names
(6R,7R)-7-{[(2-amino-1,3-thiazol-4-yl)acetyl]amino}-3-[({1-[2-(dimethylamino)ethyl]-1H-tetrazol-5-yl}sulfanyl)methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid dihydrochloride
7β-(2-amino-1,3-thiazol-4-yl)acetamido-3-[({1-[2-(dimethylamino)ethyl]-1H-tetrazol-5-yl}sulfanyl)methyl]-3,4-didehydrocepham-4-carboxylic acid dihydrochloride
Synonyms Sources
7(R)-(2-(2-amino-4-thiazolyl)acetamido)-3-(((1-(2-(dimethylamino)ethyl)-1H-tetrazol-5-yl)thio)methyl)-3-cephem-4-carboxylic acid dihydrochloride ChemIDplus
cefotiam hydrochloride KEGG DRUG
Manual Xrefs Databases
D01819 KEGG DRUG
DB00229 DrugBank
DE2738711 Patent
US4146710 Patent
View more database links
Registry Number Type Source
66309-69-1 CAS Registry Number ChemIDplus
Last Modified
07 May 2010