4-Thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid, 3,3-dimethyl-6-[[(5-methyl-3-phenyl-4-isothiazolyl)carbonyl]amino]-7-oxo-, monosodium salt, [2S-(2α,5α,6β)]-

CAS Registry Number®

16216-98-1

CAS Name

4-Thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid, 3,3-dimethyl-6-[[(5-methyl-3-phenyl-4-isothiazolyl)carbonyl]amino]-7-oxo-, monosodium salt, [2S-(2α,5α,6β)]-

Molecular Formula

C19H19N3O4S2.Na

Cite this Page

4-Thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid, 3,3-dimethyl-6-[[(5-methyl-3-phenyl-4-isothiazolyl)carbonyl]amino]-7-oxo-, monosodium salt, [2S-(2α,5α,6β)]-.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=16216-98-1 (retrieved 2024-11-22) (CAS RN: 16216-98-1).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C19H19N3O4S2.Na/c1-9-11(12(21-28-9)10-7-5-4-6-8-10)15(23)20-13-16(24)22-14(18(25)26)19(2,3)27-17(13)22;/h4-8,13-14,17H,1-3H3,(H,20,23)(H,25,26);/t13-,14+,17-;/m1./s1

InChIKey

InChIKey=XMVZAWWQXRKHCF-SLINCCQESA-N

SMILES

C(O)(=O)[C@@H]1N2[C@@]([C@H](NC(=O)C=3C(=NSC3C)C4=CC=CC=C4)C2=O)(SC1(C)C)[H].[Na]

Canonical SMILES

[Na].O=C(O)C1N2C(=O)C(NC(=O)C=3C(=NSC3C)C=4C=CC=CC4)C2SC1(C)C

Other Names for this Substance

  • 4-Thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid, 3,3-dimethyl-6-[[(5-methyl-3-phenyl-4-isothiazolyl)carbonyl]amino]-7-oxo-, monosodium salt, [2S-(2α,5α,6β)]-
  • 4-Thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid, 3,3-dimethyl-6-(5-methyl-3-phenyl-4-isothiazolecarboxamido)-7-oxo-, monosodium salt
  • Sodium 6-(5-methyl-3-phenyl-isothiazole-4-carboxamido)penicillinate

CAS INSIGHTSTM
Hourglass and a clock