Deacetylcephalosporin C

CAS Registry Number®

1476-46-6

CAS Name

Deacetylcephalosporin C

Molecular Formula

C14H19N3O7S

Molecular Mass

373.38

Cite this Page

Deacetylcephalosporin C.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=1476-46-6 (retrieved 2024-12-19) (CAS RN: 1476-46-6).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C14H19N3O7S/c15-7(13(21)22)2-1-3-8(19)16-9-11(20)17-10(14(23)24)6(4-18)5-25-12(9)17/h7,9,12,18H,1-5,15H2,(H,16,19)(H,21,22)(H,23,24)/t7-,9-,12-/m1/s1

InChIKey

InChIKey=XWCFYHBHOFBVIV-JWKOBGCHSA-N

SMILES

C(O)(=O)C=1N2[C@@]([C@H](NC(CCC[C@H](C(O)=O)N)=O)C2=O)(SCC1CO)[H]

Canonical SMILES

O=C(O)C1=C(CO)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, 7-[[(5R)-5-amino-5-carboxy-1-oxopentyl]amino]-3-(hydroxymethyl)-8-oxo-, (6R,7R)-
  • 5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, 7-(5-amino-5-carboxyvaleramido)-3-(hydroxymethyl)-8-oxo-
  • 5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, 7-[(5-amino-5-carboxy-1-oxopentyl)amino]-3-(hydroxymethyl)-8-oxo-, [6R-[6α,7β(R*)]]-
  • (6R,7R)-7-[[(5R)-5-Amino-5-carboxy-1-oxopentyl]amino]-3-(hydroxymethyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
  • Deacetylcephalosporin C

View All

CAS INSIGHTSTM
Pile of blue, green, and white color of capsule pills with modern design light.