Rolapitant Hydrochloride
Product Code
TRC-R639800
CAS Number
Product Format
Neat
Molecular Formula
C25 H26 F6 N2 O2 . Cl H
Molecular Weight
536.94
Product Categories
Chiral Molecules , TRC, Additional pharmaceutical toxicology reference materials, Additional Cancer Bioactive Molecules, Additional pharmaceutical toxicology research materials, Additional Neuro Products
Alternate CAS Number
Documentation
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Product Information
Chemical Data
Analyte Name
Rolapitant hydrochloride
CAS Number
858102-79-1
Molecular Formula
C25 H26 F6 N2 O2 . Cl H
Molecular Weight
536.94
Accurate Mass
536.1665
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
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
IUPAC
(5S,8S)-8-[[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]methyl]-8-phenyl-1,9-diazaspiro[4.5]decan-2-one;hydrochloride
Alternate CAS Number
Free base: 552292-08-7
Product Data
Storage Temperature
-20°C
Shipping Temperature
Room Temperature
Country of Origin
CANADA
Product Format
Neat