CHEBI:31373 - cefotiam hexetil dihydrochloride

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ChEBI Name cefotiam hexetil dihydrochloride
ChEBI ID CHEBI:31373
Definition The dihydrochloride salt of cefotiam 1-(cyclohexyloxycarbonyloxy)ethyl ester. It is used as a prodrug for cefotiam.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C27H39Cl2N9O7S3
Net Charge 0
Average Mass 768.75600
Monoisotopic Mass 767.15116
InChI InChI=1S/C27H37N9O7S3.2ClH/c1-15(42-27(40)43-18-7-5-4-6-8-18)41-24(39)21-16(13-46-26-31-32-33-35(26)10-9-34(2)3)12-44-23-20(22(38)36(21)23)30-19(37)11-17-14-45-25(28)29-17;;/h14-15,18,20,23H,4-13H2,1-3H3,(H2,28,29)(H,30,37);2*1H/t15?,20-,23-;;/m1../s1
InChIKey FFSANQNELHESQJ-LWBICVDYSA-N
SMILES Cl.Cl.[H][C@@]1(NC(=O)Cc2csc(N)n2)C(=O)N2C(C(=O)OC(C)OC(=O)OC3CCCCC3)=C(CSc3nnnn3CCN(C)C)CS[C@]12[H]
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.
prodrug
A compound that, on administration, must undergo chemical conversion by metabolic processes before becoming the pharmacologically active drug for which it is a prodrug.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing cefotiam hexetil dihydrochloride (CHEBI:31373) has functional parent cefotiam (CHEBI:355510)
cefotiam hexetil dihydrochloride (CHEBI:31373) has part cefotiam hexetil ester (CHEBI:59211)
cefotiam hexetil dihydrochloride (CHEBI:31373) has role antibacterial drug (CHEBI:36047)
cefotiam hexetil dihydrochloride (CHEBI:31373) has role prodrug (CHEBI:50266)
cefotiam hexetil dihydrochloride (CHEBI:31373) is a hydrochloride (CHEBI:36807)
IUPAC Names
1-{[(cyclohexyloxy)carbonyl]oxy}ethyl (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-carboxylate dihydrochloride
1-{[(cyclohexyloxy)carbonyl]oxy}ethyl 7β-(2-amino-1,3-thiazol-4-yl)acetamido-3-[({1-[2-(dimethylamino)ethyl]-1H-tetrazol-5-yl}sulfanyl)methyl]-3,4-didehydrocepham-4-carboxylate dihydrochloride
Synonyms Sources
cefotiam 1-(cyclohexyloxycarbonyloxy)ethyl ester dihydrochloride ChEBI
cefotiam hexetil HCl ChemIDplus
cefotiam hexetil hydrochloride KEGG DRUG
Manual Xref Database
D01415 KEGG DRUG
View more database links
Registry Numbers Types Sources
95789-30-3 CAS Registry Number KEGG DRUG
95789-30-3 CAS Registry Number ChemIDplus
Last Modified
07 May 2010