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CHEBI:31374 - cefotiam dihydrochloride

Default Structure
ChEBI IDCHEBI:31374
ChEBI Namecefotiam dihydrochloride
Stars
DefinitionThe dihydrochloride salt of cefotiam.
Last Modified7 May 2010
DownloadsMolfile
FormulaC18H23N9O4S3.2HCl
Net Charge0
Average Mass598.564
Monoisotopic Mass597.05687
SMILESCl.Cl.[H][C@]12SCC(CSc3nnnn3CCN(C)C)=C(C(=O)O)N1C(=O)[C@@]2([H])NC(=O)Cc1csc(N)n1
InChIInChI=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
InChIKeyBWRRTAXZCKVRON-DGPOFWGLSA-N
Roles Classification
Biological Role:
antibacterial drug  A drug used to treat or prevent bacterial infections.
Application:
antibacterial drug  A drug used to treat or prevent bacterial infections.
ChEBI Ontology
Outgoing Relation(s)
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  Source
7(R)-(2-(2-amino-4-thiazolyl)acetamido)-3-(((1-(2-(dimethylamino)ethyl)-1H-tetrazol-5-yl)thio)methyl)-3-cephem-4-carboxylic acid dihydrochlorideChemIDplus
cefotiam hydrochlorideKEGG DRUG
Manual XrefsDatabases
D01819KEGG DRUG
DB00229DrugBank
DE2738711Patent
US4146710Patent
Registry NumbersSources
CAS:66309-69-1ChemIDplus