5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, 7-amino-3-chloro-8-oxo-, (4-nitrophenyl)methyl ester, monohydrochloride, (6R-trans)-

CAS Registry Number®

53483-70-8

CAS Name

5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, 7-amino-3-chloro-8-oxo-, (4-nitrophenyl)methyl ester, monohydrochloride, (6R-trans)-

Molecular Formula

C14H12ClN3O5S.ClH

Cite this Page

5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, 7-amino-3-chloro-8-oxo-, (4-nitrophenyl)methyl ester, monohydrochloride, (6R-trans)-.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=53483-70-8 (retrieved 2024-11-22) (CAS RN: 53483-70-8).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C14H12ClN3O5S.ClH/c15-9-6-24-13-10(16)12(19)17(13)11(9)14(20)23-5-7-1-3-8(4-2-7)18(21)22;/h1-4,10,13H,5-6,16H2;1H/t10-,13-;/m1./s1

InChIKey

InChIKey=QUSLYJRJAKKYQP-HTMVYDOJSA-N

SMILES

C(OCC1=CC=C(N(=O)=O)C=C1)(=O)C=2N3[C@@]([C@H](N)C3=O)(SCC2Cl)[H].Cl

Canonical SMILES

Cl.O=C(OCC1=CC=C(C=C1)N(=O)=O)C2=C(Cl)CSC3N2C(=O)C3N

Other Names for this Substance

  • 5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, 7-amino-3-chloro-8-oxo-, (4-nitrophenyl)methyl ester, monohydrochloride, (6R-trans)-
  • p-Nitrobenzyl 7-amino-3-chloro-3-cephem-4-carboxylate monohydrochloride

Deleted or Replaced CAS Registry Numbers

75051-58-0

CAS INSIGHTSTM
Targeted protein degrader structure, illustration