7-Aminocephalosporanic acid

CAS Registry Number®

957-68-6

CAS Name

7-Aminocephalosporanic acid

Molecular Formula

C10H12N2O5S

Molecular Mass

272.28

Cite this Page

7-Aminocephalosporanic acid.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=957-68-6 (retrieved 2024-11-21) (CAS RN: 957-68-6).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C10H12N2O5S/c1-4(13)17-2-5-3-18-9-6(11)8(14)12(9)7(5)10(15)16/h6,9H,2-3,11H2,1H3,(H,15,16)/t6-,9-/m1/s1

InChIKey

InChIKey=HSHGZXNAXBPPDL-HZGVNTEJSA-N

SMILES

C(O)(=O)C=1N2[C@@]([C@H](N)C2=O)(SCC1COC(C)=O)[H]

Canonical SMILES

O=C(O)C1=C(COC(=O)C)CSC2N1C(=O)C2N

Other Names for this Substance

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

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Deleted or Replaced CAS Registry Numbers

13256-42-3, 23241-25-0, 26328-10-9, 70035-93-7, 856652-38-5, 856652-39-6

CAS INSIGHTSTM
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