Cephapirin

CAS Registry Number®

21593-23-7
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CAS Name

Cephapirin

Molecular Formula

C17H17N3O6S2

Molecular Mass

423.46

Cite this Page

Cephapirin.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=21593-23-7 (retrieved 2024-07-21) (CAS RN: 21593-23-7).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C17H17N3O6S2/c1-9(21)26-6-10-7-28-16-13(15(23)20(16)14(10)17(24)25)19-12(22)8-27-11-2-4-18-5-3-11/h2-5,13,16H,6-8H2,1H3,(H,19,22)(H,24,25)/t13-,16-/m1/s1

InChIKey

InChIKey=UQLLWWBDSUHNEB-CZUORRHYSA-N

SMILES

C(O)(=O)C=1N2[C@@]([C@H](NC(CSC=3C=CN=CC3)=O)C2=O)(SCC1COC(C)=O)[H]

Canonical SMILES

O=C(O)C1=C(COC(=O)C)CSC2N1C(=O)C2NC(=O)CSC=3C=CN=CC3

Other Names for this Substance

  • 5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, 3-[(acetyloxy)methyl]-8-oxo-7-[[2-(4-pyridinylthio)acetyl]amino]-, (6R,7R)-
  • 5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, 3-(hydroxymethyl)-8-oxo-7-[2-(4-pyridylthio)acetamido]-, acetate (ester)
  • 5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, 3-[(acetyloxy)methyl]-8-oxo-7-[[(4-pyridinylthio)acetyl]amino]-, (6R-trans)-
  • 5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, 3-[(acetyloxy)methyl]-8-oxo-7-[[(4-pyridinylthio)acetyl]amino]-, (6R,7R)-
  • (6R,7R)-3-[(Acetyloxy)methyl]-8-oxo-7-[[2-(4-pyridinylthio)acetyl]amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

Deleted or Replaced CAS Registry Numbers

25279-35-0