SCH-720881

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C25H26F6N2O3
Molecular Weight	516.476
Optical Activity	UNSPECIFIED
Defined Stereocenters	4 / 4
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

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

InChI

InChIKey=FCWJCWUZMPITLV-OYGALRCHSA-N

InChI=1S/C25H26F6N2O3/c1-15(16-9-18(24(26,27)28)11-19(10-16)25(29,30)31)36-14-23(17-5-3-2-4-6-17)8-7-22(13-32-23)20(34)12-21(35)33-22/h2-6,9-11,15,20,32,34H,7-8,12-14H2,1H3,(H,33,35)/t15-,20+,22-,23-/m1/s1

HIDE SMILES / InChI

Molecular Formula	C25H26F6N2O3
Molecular Weight	516.476
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	4 / 4
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Mon Mar 31 23:35:12 GMT 2025` Edited by `admin` on `Mon Mar 31 23:35:12 GMT 2025`
Record UNII	EFL393CK3S
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

SCH-720881

Code

English

ROLAPITANT METABOLITE M19

Preferred Name

English

(1S,5R,8S)-8-(((1R)-1-(3,5-BIS(TRIFLUOROMETHYL)PHENYL)ETHOXY)METHYL)-1-HYDROXY-8-PHENYL-4,9-DIAZASPIRO(4.5)DECAN-3-ONE

Systematic Name

English

Code System Code Type Description

CAS

2238886-63-8

Created by admin on Mon Mar 31 23:35:12 GMT 2025 , Edited by admin on Mon Mar 31 23:35:12 GMT 2025

PRIMARY

FDA UNII

EFL393CK3S

Created by admin on Mon Mar 31 23:35:12 GMT 2025 , Edited by admin on Mon Mar 31 23:35:12 GMT 2025

PRIMARY

PUBCHEM

135390916

Created by admin on Mon Mar 31 23:35:12 GMT 2025 , Edited by admin on Mon Mar 31 23:35:12 GMT 2025

PRIMARY

Related Record Type Details


					6OU487748Q

SUBSTANCE-P RECEPTOR

TARGET -> INHIBITOR

Interaction Type:

ANTAGONIST

Qualification:

Ki

Amount:

Related Record Type Details


					NLE429IZUC

ROLAPITANT

PARENT -> METABOLITE ACTIVE