4-Thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid, 6-[[amino(3-chloro-4-hydroxyphenyl)acetyl]amino]-3,3-dimethyl-7-oxo-, [2S-[2α,5α,6β(S*)]]-

CAS Registry Number®

24593-54-2
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CAS Name

4-Thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid, 6-[[amino(3-chloro-4-hydroxyphenyl)acetyl]amino]-3,3-dimethyl-7-oxo-, [2S-[2α,5α,6β(S*)]]-

Molecular Formula

C16H18ClN3O5S

Molecular Mass

399.85

Cite this Page

4-Thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid, 6-[[amino(3-chloro-4-hydroxyphenyl)acetyl]amino]-3,3-dimethyl-7-oxo-, [2S-[2α,5α,6β(S*)]]-.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=24593-54-2 (retrieved 2024-06-29) (CAS RN: 24593-54-2).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C16H18ClN3O5S/c1-16(2)11(15(24)25)20-13(23)10(14(20)26-16)19-12(22)9(18)6-3-4-8(21)7(17)5-6/h3-5,9-11,14,21H,18H2,1-2H3,(H,19,22)(H,24,25)/t9-,10-,11+,14-/m1/s1

InChIKey

InChIKey=YYQJMWQAYJIJED-NJBDSQKTSA-N

SMILES

C(O)(=O)[C@@H]1N2[C@@]([C@H](NC([C@H](N)C3=CC(Cl)=C(O)C=C3)=O)C2=O)(SC1(C)C)[H]

Canonical SMILES

O=C(O)C1N2C(=O)C(NC(=O)C(N)C3=CC=C(O)C(Cl)=C3)C2SC1(C)C

Other Names for this Substance

  • 4-Thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid, 6-[[amino(3-chloro-4-hydroxyphenyl)acetyl]amino]-3,3-dimethyl-7-oxo-, [2S-[2α,5α,6β(S*)]]-
  • 4-Thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid, 6-[2-amino-2-(3-chloro-4-hydroxyphenyl)acetamido]-3,3-dimethyl-7-oxo-, D-
  • m-Chloro-p-hydroxyampicillin

Deleted or Replaced CAS Registry Numbers

57847-68-4