Chemical Compound

A816871

CAS Registry Number 23736-58-5
A816871 chemical structure
Primary Record

A816871

In stock
6,121 g
Purity
99.0 %
CAS
23736-58-5

Compound Identifiers & Properties

CAS
23736-58-5
PubChem CID
156619856
SMILES
CC1=C(C(=NO1)C2=CC=CC=C2Cl)C(=O)N[C@H]3[C@@H]4N(C3=O)[C@@H](C(S4)(C)C)C(=O)[O-].C1=CC=C(C=C1)CNCCNCC2=CC=CC=C2.[Na+]
Canonical SMILES
Cc1onc(-c2ccccc2Cl)c1C(=O)N[C@@H]1C(=O)N2[C@@H]1SC(C)(C)[C@H]2C(=O)[O-].[Na+].c1ccc(CNCCNCc2ccccc2)cc1

Names & Synonyms

  • A816871
  • 23736-58-5
  • 6-[[3-(2-chlorophenyl)-5-methyl-isoxazole-4-carbonyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid; N,N'-dibenzylethane-1,2-diamine