Flomoxef

CAS Registry Number®

99665-00-6

CAS Name

Flomoxef

Molecular Formula

C15H18F2N6O7S2

Molecular Mass

496.47

Cite this Page

Flomoxef.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=99665-00-6 (retrieved 2024-11-22) (CAS RN: 99665-00-6).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    82.5-87.5 °C

Source(s)

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

Other Names and Identifiers

InChI

InChI=1S/C15H18F2N6O7S2/c1-29-15(18-8(25)6-31-13(16)17)11(28)23-9(10(26)27)7(4-30-12(15)23)5-32-14-19-20-21-22(14)2-3-24/h12-13,24H,2-6H2,1H3,(H,18,25)(H,26,27)/t12-,15+/m1/s1

InChIKey

InChIKey=UHRBTBZOWWGKMK-DOMZBBRYSA-N

SMILES

N(C(CSC(F)F)=O)[C@@]1(OC)[C@@]2(N(C1=O)C(C(O)=O)=C(CSC=3N(CCO)N=NN3)CO2)[H]

Canonical SMILES

O=C(O)C1=C(COC2N1C(=O)C2(OC)NC(=O)CSC(F)F)CSC3=NN=NN3CCO

Other Names for this Substance

  • 5-Oxa-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, 7-[[2-[(difluoromethyl)thio]acetyl]amino]-3-[[[1-(2-hydroxyethyl)-1H-tetrazol-5-yl]thio]methyl]-7-methoxy-8-oxo-, (6R,7R)-
  • 5-Oxa-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, 7-[[[(difluoromethyl)thio]acetyl]amino]-3-[[[1-(2-hydroxyethyl)-1H-tetrazol-5-yl]thio]methyl]-7-methoxy-8-oxo-, (6R-cis)-
  • 5-Oxa-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, 7-[[[(difluoromethyl)thio]acetyl]amino]-3-[[[1-(2-hydroxyethyl)-1H-tetrazol-5-yl]thio]methyl]-7-methoxy-8-oxo-, (6R,7R)-
  • (6R,7R)-7-[[2-[(Difluoromethyl)thio]acetyl]amino]-3-[[[1-(2-hydroxyethyl)-1H-tetrazol-5-yl]thio]methyl]-7-methoxy-8-oxo-5-oxa-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
  • Flomoxef

View All

Deleted or Replaced CAS Registry Numbers

112245-72-4, 92823-00-2

CAS INSIGHTSTM
Targeted protein degrader structure, illustration