Rolapitant Hydrochloride

• Synonyms:

  1,7-Diazaspiro[4.5]decan-2-one, 8-[[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]methyl]-8-phenyl-, hydrochloride (1:1), (5S,8S)-; 1,7-Diazaspiro[4.5]decan-2-one, 8-[[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]methyl]-8-phenyl-, monohydrochloride, (5S,8S)- (9CI); Rolapitant hydrochloride; Sch 619734

• Hazard Statement:

  Harmful if swallowed.

• Smiles:

  Cl.C[C@@H](OC[C@]1(CC[C@]2(CCC(=O)N2)CN1)c3ccccc3)c4cc(cc(c4)C(F)(F)F)C(F)(F)F

• Molecular Formula:

  C25 H26 F6 N2 O2 . Cl H

• Molecular Weight:

  536.94

• InChI:

  InChI=1S/C25H26F6N2O2.ClH/c1-16(17-11-19(24(26,27)28)13-20(12-17)25(29,30)31)35-15-23(18-5-3-2-4-6-18)10-9-22(14-32-23)8-7-21(34)33-22;/h2-6,11-13,16,32H,7-10,14-15H2,1H3,(H,33,34);1H/t16-,22-,23-;/m1./s1

• Additionnal Information:

  IUPAC name: (5S,8S)-8-[[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]methyl]-8-phenyl-1,9-diazaspiro[4.5]decan-2-one;hydrochloride

• Shipping Conditions:

  Room Temperature

• Storage Conditions:

  -20°C

• CAS Number:

  858102-79-1