Cephradine

CAS Registry Number®

38821-53-3
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CAS Name

Cephradine

Molecular Formula

C16H19N3O4S

Molecular Mass

349.40

Cite this Page

Cephradine.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/ChemicalDetail.aspx?ref=38821-53-3 (retrieved 2024-04-25) (CAS RN: 38821-53-3).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    140 °C

Source(s)

  • (1) PhysProp data were obtained from Syracuse Research Corporation of Syracuse, New York (US)

Other Names and Identifiers

InChI

InChI=1S/C16H19N3O4S/c1-8-7-24-15-11(14(21)19(15)12(8)16(22)23)18-13(20)10(17)9-5-3-2-4-6-9/h2-3,6,10-11,15H,4-5,7,17H2,1H3,(H,18,20)(H,22,23)/t10-,11-,15-/m1/s1

InChIKey

InChIKey=RDLPVSKMFDYCOR-UEKVPHQBSA-N

SMILES

O=C1N2[C@@]([C@@H]1NC([C@H](N)C=3CC=CCC3)=O)(SCC(C)=C2C(O)=O)[H]

Canonical SMILES

O=C(O)C1=C(C)CSC2N1C(=O)C2NC(=O)C(N)C3=CCC=CC3

Other Names for this Substance

  • 5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, 7-[[(2R)-2-amino-2-(1,4-cyclohexadien-1-yl)acetyl]amino]-3-methyl-8-oxo-, (6R,7R)-
  • 5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, 7-[(amino-1,4-cyclohexadien-1-ylacetyl)amino]-3-methyl-8-oxo-, [6R-[6α,7β(R*)]]-
  • 5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, 7-[[(2R)-amino-1,4-cyclohexadien-1-ylacetyl]amino]-3-methyl-8-oxo-, (6R,7R)-
  • (6R,7R)-7-[[(2R)-2-Amino-2-(1,4-cyclohexadien-1-yl)acetyl]amino]-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
  • Cephradin

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