Return to Results

Ertapenem

CAS Registry Number®

153832-46-3

CAS Name

Ertapenem

Molecular Formula

C22H25N3O7S

Molecular Mass

475.51

Cite this Page

Ertapenem.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=153832-46-3 (retrieved 2024-11-23) (CAS RN: 153832-46-3).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C22H25N3O7S/c1-9-16-15(10(2)26)20(28)25(16)17(22(31)32)18(9)33-13-7-14(23-8-13)19(27)24-12-5-3-4-11(6-12)21(29)30/h3-6,9-10,13-16,23,26H,7-8H2,1-2H3,(H,24,27)(H,29,30)(H,31,32)/t9-,10-,13+,14+,15-,16-/m1/s1

InChIKey

InChIKey=JUZNIMUFDBIJCM-ANEDZVCMSA-N

SMILES

C(O)(=O)C=1N2[C@@]([C@@]([C@@H](C)O)(C2=O)[H])([C@@H](C)C1S[C@H]3C[C@@H](C(NC4=CC(C(O)=O)=CC=C4)=O)NC3)[H]

Canonical SMILES

O=C(O)C=1C=CC=C(C1)NC(=O)C2NCC(SC3=C(C(=O)O)N4C(=O)C(C(O)C)C4C3C)C2

Other Names for this Substance

  • 1-Azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid, 3-[[(3S,5S)-5-[[(3-carboxyphenyl)amino]carbonyl]-3-pyrrolidinyl]thio]-6-[(1R)-1-hydroxyethyl]-4-methyl-7-oxo-, (4R,5S,6S)-
  • 1-Azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid, 3-[[5-[[(3-carboxyphenyl)amino]carbonyl]-3-pyrrolidinyl]thio]-6-(1-hydroxyethyl)-4-methyl-7-oxo-, [4R-[3(3S*,5S*),4α,5β,6β(R*)]]-
  • (4R,5S,6S)-3-[[(3S,5S)-5-[[(3-Carboxyphenyl)amino]carbonyl]-3-pyrrolidinyl]thio]-6-[(1R)-1-hydroxyethyl]-4-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid
  • Ertapenem

CAS INSIGHTSTM
Hourglass and a clock