Cephradine dihydrate

CAS Registry Number®

31828-50-9

CAS Name

Cephradine dihydrate

Molecular Formula

C16H19N3O4S.2H2O

Cite this Page

Cephradine dihydrate.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=31828-50-9 (retrieved 2024-11-22) (CAS RN: 31828-50-9).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    183-185 °C

Source(s)

  • (1) Drugs - Synonyms and Properties data were obtained from Ashgate Publishing Co. (US)

Other Names and Identifiers

InChI

InChI=1S/C16H19N3O4S.2H2O/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);2*1H2/t10-,11-,15-;;/m1../s1

InChIKey

InChIKey=HBKDHIDYMXXJLI-OEDJVVDHSA-N

SMILES

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

Canonical SMILES

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

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-, hydrate (1:2), (6R,7R)-
  • 5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, 7-[2-amino-2-(1,4-cyclohexadien-1-yl)acetamido]-3-methyl-8-oxo-, hydrate, D-
  • 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-, dihydrate, (6R,7R)-
  • Cephradine hydrate
  • Cefradin hydrate

View All

Deleted or Replaced CAS Registry Numbers

58456-86-3

CAS INSIGHTSTM
Targeted protein degrader structure, illustration