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Substance Name: Cefotiam hexetil hydrochloride
RN: 95840-69-0
InChIKey: FFSANQNELHESQJ-KPOHACEOSA-N

Molecular Formula

  • C27-H37-N9-O7-S3.2Cl-H

Molecular Weight

  • 768.7651
 
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Names and Synonyms

Results Name

  • Cefotiam hexetil hydrochloride

Synonyms

  • 1-(((Cyclohexyloxy)carbonyl)oxy)ethyl 7-(((2-amino-4-thiazolyl)acetyl)amino)-3-(((1-(2-(dimethylamino)ethyl)-1H-tetrazol-5-yl)thio)methyl)-8-oxo-5-thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylate dihydrochloride, (6R-(3(R*),6alpha,7beta))-
  • Cefotiam hexetil hydrochloride

Systematic Name

  • 5-Thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic acid, 7-(((2-amino-4-thiazolyl)acetyl)amino)-3-(((1-(2-(dimethylamino)ethyl)-1H-tetrazol-5-yl)thio)methyl)-8-oxo-, 1-(((cyclohexyloxy)carbonyl)oxy)ethyl ester, dihydrochloride, (6R-(3(R*),6alpha,7beta))-

Registry Numbers

CAS Registry Number

  • 95840-69-0

System Generated Number

  • 0095840690

Molecular Formulas

Molecular Formula

  • C27-H37-N9-O7-S3.2Cl-H

Molecular Formula Fragments

  • C27-H37-N9-O7-S3
  • Cl-H
  • COMPONENT

Structure Descriptors

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-KPOHACEOSA-N

Smiles

Cl.Cl.CC(OC(=O)OC1CCCCC1)OC(=O)C2=C(CSc3nnnn3CCN(C)C)CSC4[C@H](NC(=O)Cc5csc(N)n5)C(=O)N24