Vorapaxar

CAS Registry Number®

618385-01-6

CAS Name

Vorapaxar

Molecular Formula

C29H33FN2O4

Molecular Mass

492.58

Cite this Page

Vorapaxar.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=618385-01-6 (retrieved 2024-11-22) (CAS RN: 618385-01-6).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    125 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C29H33FN2O4/c1-3-35-29(34)32-23-10-11-24-20(14-23)15-26-27(17(2)36-28(26)33)25(24)12-9-22-8-7-19(16-31-22)18-5-4-6-21(30)13-18/h4-9,12-13,16-17,20,23-27H,3,10-11,14-15H2,1-2H3,(H,32,34)/b12-9+/t17-,20+,23-,24-,25+,26-,27+/m1/s1

InChIKey

InChIKey=ZBGXUVOIWDMMJE-QHNZEKIYSA-N

SMILES

C(=C/C1=CC=C(C=N1)C2=CC(F)=CC=C2)\[C@@H]3[C@]4([C@@](C[C@]5([C@]3(CC[C@@H](NC(OCC)=O)C5)[H])[H])(C(=O)O[C@@H]4C)[H])[H]

Canonical SMILES

O=C(OCC)NC1CCC2C(C=CC=3N=CC(=CC3)C4=CC=CC(F)=C4)C5C(OC(=O)C5CC2C1)C

Other Names for this Substance

  • Carbamic acid, N-[(1R,3aR,4aR,6R,8aR,9S,9aS)-9-[(1E)-2-[5-(3-fluorophenyl)-2-pyridinyl]ethenyl]dodecahydro-1-methyl-3-oxonaphtho[2,3-c]furan-6-yl]-, ethyl ester
  • Carbamic acid, [(1R,3aR,4aR,6R,8aR,9S,9aS)-9-[(1E)-2-[5-(3-fluorophenyl)-2-pyridinyl]ethenyl]dodecahydro-1-methyl-3-oxonaphtho[2,3-c]furan-6-yl]-, ethyl ester
  • Vorapaxar

CAS INSIGHTSTM
Targeted protein degrader structure, illustration