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
Price and availability
Product Information
Product 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
Storage & Transport Information
Storage Temperature
-20°C
Shipping Temperature
Room Temperature
Country of Origin
CANADA
Product Attributes
Product Format
Neat
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