Vorapaxar sulfate

CAS Registry Number®

705260-08-8

CAS Name

Vorapaxar sulfate

Molecular Formula

C29H33FN2O4.H2O4S

Cite this Page

Vorapaxar sulfate.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=705260-08-8 (retrieved 2024-11-23) (CAS RN: 705260-08-8).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C29H33FN2O4.H2O4S/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;1-5(2,3)4/h4-9,12-13,16-17,20,23-27H,3,10-11,14-15H2,1-2H3,(H,32,34);(H2,1,2,3,4)/b12-9+;/t17-,20+,23-,24-,25+,26-,27+;/m1./s1

InChIKey

InChIKey=NQRYCIGCIAWEIC-CKLVGUEFSA-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].S(=O)(=O)(O)O

Canonical SMILES

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

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, sulfate (1:1)
  • 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, sulfate (1:1)
  • Sch 530348
  • Vorapaxar sulfate
  • Zontivity

CAS INSIGHTSTM
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