Desacetylcephapirin

CAS Registry Number®

38115-21-8
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CAS Name

Desacetylcephapirin

Molecular Formula

C15H15N3O5S2

Molecular Mass

381.43

Cite this Page

Desacetylcephapirin.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=38115-21-8 (retrieved 2024-05-17) (CAS RN: 38115-21-8).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C15H15N3O5S2/c19-5-8-6-25-14-11(13(21)18(14)12(8)15(22)23)17-10(20)7-24-9-1-3-16-4-2-9/h1-4,11,14,19H,5-7H2,(H,17,20)(H,22,23)/t11-,14-/m1/s1

InChIKey

InChIKey=IOFHZPVEQXTSQW-BXUZGUMPSA-N

SMILES

C(O)(=O)C=1N2[C@@]([C@H](NC(CSC=3C=CN=CC3)=O)C2=O)(SCC1CO)[H]

Canonical SMILES

O=C(O)C1=C(CO)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-(hydroxymethyl)-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-[[(4-pyridinylthio)acetyl]amino]-, (6R-trans)-
  • 5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, 3-(hydroxymethyl)-8-oxo-7-[[(4-pyridinylthio)acetyl]amino]-, (6R,7R)-
  • (6R,7R)-3-(Hydroxymethyl)-8-oxo-7-[[2-(4-pyridinylthio)acetyl]amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
  • Desacetylcephapirin

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