CJ-12764

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C31H38N2O2
Molecular Weight	470.6456
Optical Activity	UNSPECIFIED
Defined Stereocenters	2 / 2
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

COC1=CC=C(C=C1CN[C@H]2C3CCN(CC3)[C@H]2C(C4=CC=CC=C4)C5=CC=CC=C5)C(C)(C)O

InChI

InChIKey=FBOIFJGFNUAMIT-KYJUHHDHSA-N

InChI=1S/C31H38N2O2/c1-31(2,34)26-14-15-27(35-3)25(20-26)21-32-29-24-16-18-33(19-17-24)30(29)28(22-10-6-4-7-11-22)23-12-8-5-9-13-23/h4-15,20,24,28-30,32,34H,16-19,21H2,1-3H3/t29-,30-/m0/s1

HIDE SMILES / InChI

Approval Year

Name

Type

Language

CJ-12764

Code

English

3-((((2S,3S)-2-(DIPHENYLMETHYL)-1-AZABICYCLO(2.2.2)OCT-3-YL)AMINO)METHYL)-4-METHOXY-.ALPHA.,.ALPHA.-DIMETHYLBENZENEMETHANOL

Systematic Name

English

EZLOPITANT METABOLITE M16

Common Name

English

BENZENEMETHANOL, 3-(((2-(DIPHENYLMETHYL)-1-AZABICYCLO(2.2.2)OCT-3-YL)AMINO)METHYL)-4-METHOXY-.ALPHA.,.ALPHA.-DIMETHYL-, (2S-CIS)-

Systematic Name

English

BENZENEMETHANOL, 3-((((2S,3S)-2-(DIPHENYLMETHYL)-1-AZABICYCLO(2.2.2)OCT-3-YL)AMINO)METHYL)-4-METHOXY-.ALPHA.,.ALPHA.-DIMETHYL-

Systematic Name

English

CJ-12,764

Code

English

CJ 12764

Code

English

Code System Code Type Description

FDA UNII

BQC3MQI0HR

Created by admin on Sat Dec 16 16:11:56 GMT 2023 , Edited by admin on Sat Dec 16 16:11:56 GMT 2023

PRIMARY

PUBCHEM

10073453

Created by admin on Sat Dec 16 16:11:56 GMT 2023 , Edited by admin on Sat Dec 16 16:11:56 GMT 2023

PRIMARY

CAS

161011-07-0

Created by admin on Sat Dec 16 16:11:56 GMT 2023 , Edited by admin on Sat Dec 16 16:11:56 GMT 2023

PRIMARY

PARENT (METABOLITE ACTIVE)


					3L098A8MPY

EZLOPITANT

SUBSTANCE RECORD


					BQC3MQI0HR

CJ-12764