4-Thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid, 3-[[(aminocarbonyl)oxy]methyl]-6-[(1R)-1-hydroxyethyl]-7-oxo-, sodium salt (1:1), (5R,6S)-

CAS Registry Number®

84845-58-9
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CAS Name

4-Thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid, 3-[[(aminocarbonyl)oxy]methyl]-6-[(1R)-1-hydroxyethyl]-7-oxo-, sodium salt (1:1), (5R,6S)-

Molecular Formula

C10H12N2O6S.Na

Cite this Page

4-Thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid, 3-[[(aminocarbonyl)oxy]methyl]-6-[(1R)-1-hydroxyethyl]-7-oxo-, sodium salt (1:1), (5R,6S)-.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=84845-58-9 (retrieved 2024-09-22) (CAS RN: 84845-58-9).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C10H12N2O6S.Na/c1-3(13)5-7(14)12-6(9(15)16)4(19-8(5)12)2-18-10(11)17;/h3,5,8,13H,2H2,1H3,(H2,11,17)(H,15,16);/t3-,5+,8-;/m1./s1

InChIKey

InChIKey=DLZCQXTYVDVZAK-HIQLJADVSA-N

SMILES

C(O)(=O)C=1N2[C@@]([C@@]([C@@H](C)O)(C2=O)[H])(SC1COC(N)=O)[H].[Na]

Canonical SMILES

[Na].O=C(O)C1=C(SC2N1C(=O)C2C(O)C)COC(=O)N

Other Names for this Substance

  • 4-Thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid, 3-[[(aminocarbonyl)oxy]methyl]-6-[(1R)-1-hydroxyethyl]-7-oxo-, sodium salt (1:1), (5R,6S)-
  • 4-Thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid, 3-[[(aminocarbonyl)oxy]methyl]-6-(1-hydroxyethyl)-7-oxo-, monosodium salt, [5R-[5α,6α(R*)]]-
  • 4-Thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid, 3-[[(aminocarbonyl)oxy]methyl]-6-[(1R)-1-hydroxyethyl]-7-oxo-, monosodium salt, (5R,6S)-
  • FCE 22101