5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, 3-[(acetyloxy)methyl]-7-[(5-amino-5-carboxy-1-oxopentyl)amino]-8-oxo-, disodium salt, [6R-[6α,7β(R*)]]-

CAS Registry Number®

39879-21-5

CAS Name

5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, 3-[(acetyloxy)methyl]-7-[(5-amino-5-carboxy-1-oxopentyl)amino]-8-oxo-, disodium salt, [6R-[6α,7β(R*)]]-

Molecular Formula

C16H21N3O8S.2Na

Cite this Page

5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, 3-[(acetyloxy)methyl]-7-[(5-amino-5-carboxy-1-oxopentyl)amino]-8-oxo-, disodium salt, [6R-[6α,7β(R*)]]-.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=39879-21-5 (retrieved 2024-12-22) (CAS RN: 39879-21-5).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C16H21N3O8S.2Na/c1-7(20)27-5-8-6-28-14-11(13(22)19(14)12(8)16(25)26)18-10(21)4-2-3-9(17)15(23)24;;/h9,11,14H,2-6,17H2,1H3,(H,18,21)(H,23,24)(H,25,26);;/t9-,11-,14-;;/m1../s1

InChIKey

InChIKey=DYLYDLWSTLJMPF-FTCOLDBKSA-N

SMILES

C(O)(=O)C=1N2[C@@]([C@H](NC(CCC[C@H](C(O)=O)N)=O)C2=O)(SCC1COC(C)=O)[H].[Na]

Canonical SMILES

[Na].O=C(O)C1=C(COC(=O)C)CSC2N1C(=O)C2NC(=O)CCCC(N)C(=O)O

Other Names for this Substance

  • 5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, 3-[(acetyloxy)methyl]-7-[(5-amino-5-carboxy-1-oxopentyl)amino]-8-oxo-, disodium salt, [6R-[6α,7β(R*)]]-
  • Cephalosporin C disodium salt

CAS INSIGHTSTM
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