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Details

Stereochemistry ABSOLUTE
Molecular Formula C25H26F6N2O2
Molecular Weight 500.4766
Optical Activity UNSPECIFIED
Defined Stereocenters 3 / 3
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of ROLAPITANT

SMILES

C[C@@H](OC[C@]1(CC[C@]2(CCC(=O)N2)CN1)C3=CC=CC=C3)C4=CC(=CC(=C4)C(F)(F)F)C(F)(F)F

InChI

InChIKey=FIVSJYGQAIEMOC-ZGNKEGEESA-N
InChI=1S/C25H26F6N2O2/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)/t16-,22-,23-/m1/s1

HIDE SMILES / InChI

Approval Year

Unknown
86413
Name Type Language
ROLAPITANT
DASH   INN   USAN   WHO-DD  
INN   USAN  
Official Name English
(5S,8S)-8-{[(1R)-1-[3,5-Bis(trifluoromethyl)phenyl]ethoxy]methyl}-8-phenyl-1,7-diazaspiro[4.5]decan-2-one
Systematic Name English
ROLAPITANT [USAN]
Common Name English
ROLAPITANT [MI]
Common Name English
Rolapitant [WHO-DD]
Common Name English
1,7-DIAZASPIRO(4.5)DECAN-2-ONE, 8-(((1R)-1-(3,5-BIS(TRIFLUOROMETHYL)PHENYL)ETHOXY)METHYL)-8-PHENYL-, (5S,8S)-
Systematic Name English
rolapitant [INN]
Common Name English
Classification Tree Code System Code
NDF-RT N0000175786
Created by admin on Fri Dec 15 15:34:23 UTC 2023 , Edited by admin on Fri Dec 15 15:34:23 UTC 2023
WHO-ATC A04AD14
Created by admin on Fri Dec 15 15:34:23 UTC 2023 , Edited by admin on Fri Dec 15 15:34:23 UTC 2023
NCI_THESAURUS C267
Created by admin on Fri Dec 15 15:34:23 UTC 2023 , Edited by admin on Fri Dec 15 15:34:23 UTC 2023
Code System Code Type Description
NDF-RT
N0000182137
Created by admin on Fri Dec 15 15:34:23 UTC 2023 , Edited by admin on Fri Dec 15 15:34:23 UTC 2023
PRIMARY Cytochrome P450 2D6 Inhibitors [MoA]
MERCK INDEX
m11844
Created by admin on Fri Dec 15 15:34:23 UTC 2023 , Edited by admin on Fri Dec 15 15:34:23 UTC 2023
PRIMARY
NCI_THESAURUS
C97952
Created by admin on Fri Dec 15 15:34:23 UTC 2023 , Edited by admin on Fri Dec 15 15:34:23 UTC 2023
PRIMARY
ChEMBL
CHEMBL3707331
Created by admin on Fri Dec 15 15:34:23 UTC 2023 , Edited by admin on Fri Dec 15 15:34:23 UTC 2023
PRIMARY
EPA CompTox
DTXSID90203740
Created by admin on Fri Dec 15 15:34:23 UTC 2023 , Edited by admin on Fri Dec 15 15:34:23 UTC 2023
PRIMARY
DRUG BANK
DB09291
Created by admin on Fri Dec 15 15:34:23 UTC 2023 , Edited by admin on Fri Dec 15 15:34:23 UTC 2023
PRIMARY
FDA UNII
NLE429IZUC
Created by admin on Fri Dec 15 15:34:23 UTC 2023 , Edited by admin on Fri Dec 15 15:34:23 UTC 2023
PRIMARY
DAILYMED
NLE429IZUC
Created by admin on Fri Dec 15 15:34:23 UTC 2023 , Edited by admin on Fri Dec 15 15:34:23 UTC 2023
PRIMARY
INN
8882
Created by admin on Fri Dec 15 15:34:23 UTC 2023 , Edited by admin on Fri Dec 15 15:34:23 UTC 2023
PRIMARY
PUBCHEM
10311306
Created by admin on Fri Dec 15 15:34:23 UTC 2023 , Edited by admin on Fri Dec 15 15:34:23 UTC 2023
PRIMARY
DRUG CENTRAL
5027
Created by admin on Fri Dec 15 15:34:23 UTC 2023 , Edited by admin on Fri Dec 15 15:34:23 UTC 2023
PRIMARY
RXCUI
1665496
Created by admin on Fri Dec 15 15:34:23 UTC 2023 , Edited by admin on Fri Dec 15 15:34:23 UTC 2023
PRIMARY RxNorm
SMS_ID
100000144489
Created by admin on Fri Dec 15 15:34:23 UTC 2023 , Edited by admin on Fri Dec 15 15:34:23 UTC 2023
PRIMARY
EVMPD
SUB121121
Created by admin on Fri Dec 15 15:34:23 UTC 2023 , Edited by admin on Fri Dec 15 15:34:23 UTC 2023
PRIMARY
USAN
CD-170
Created by admin on Fri Dec 15 15:34:23 UTC 2023 , Edited by admin on Fri Dec 15 15:34:23 UTC 2023
PRIMARY
CAS
552292-08-7
Created by admin on Fri Dec 15 15:34:23 UTC 2023 , Edited by admin on Fri Dec 15 15:34:23 UTC 2023
PRIMARY
IUPHAR
5749
Created by admin on Fri Dec 15 15:34:23 UTC 2023 , Edited by admin on Fri Dec 15 15:34:23 UTC 2023
PRIMARY
NDF-RT
N0000190113
Created by admin on Fri Dec 15 15:34:23 UTC 2023 , Edited by admin on Fri Dec 15 15:34:23 UTC 2023
PRIMARY Breast Cancer Resistance Protein Inhibitors [MoA]
CHEBI
90908
Created by admin on Fri Dec 15 15:34:23 UTC 2023 , Edited by admin on Fri Dec 15 15:34:23 UTC 2023
PRIMARY
WIKIPEDIA
Rolapitant
Created by admin on Fri Dec 15 15:34:23 UTC 2023 , Edited by admin on Fri Dec 15 15:34:23 UTC 2023
PRIMARY
NDF-RT
N0000185503
Created by admin on Fri Dec 15 15:34:23 UTC 2023 , Edited by admin on Fri Dec 15 15:34:23 UTC 2023
PRIMARY P-Glycoprotein Inhibitors [MoA]
ACTIVE MOIETY
Structure of ROLAPITANT
METABOLITE ACTIVE (PARENT)
Structure of SCH-720881
SALT/SOLVATE (PARENT)
Structure of ROLAPITANT HYDROCHLORIDE
NIH
NCATS
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