U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

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 of CJ-12764

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
Molecular Formula C31H38N2O2
Molecular Weight 470.6456
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 2 / 2
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Unknown
139594
Substance Class Chemical
Created
by admin
on Sat Dec 16 16:11:56 UTC 2023
Edited
by admin
on Sat Dec 16 16:11:56 UTC 2023
Record UNII
BQC3MQI0HR
Record Status Validated (UNII)
Record Version
  • Download
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 UTC 2023 , Edited by admin on Sat Dec 16 16:11:56 UTC 2023
PRIMARY
PUBCHEM
10073453
Created by admin on Sat Dec 16 16:11:56 UTC 2023 , Edited by admin on Sat Dec 16 16:11:56 UTC 2023
PRIMARY
CAS
161011-07-0
Created by admin on Sat Dec 16 16:11:56 UTC 2023 , Edited by admin on Sat Dec 16 16:11:56 UTC 2023
PRIMARY
Related Record Type Details
Structure of EZLOPITANT
PARENT -> METABOLITE
FECAL
Structure of EZLOPITANT
PARENT -> METABOLITE ACTIVE
URINE
Structure of EZLOPITANT
PARENT -> METABOLITE ACTIVE
PLASMA
NIH
NCATS
PRIVACY ACT
ACCESSIBILITY
DISCLAIMER
HHS VULNERABILITY DISCLOSURE
For language access assistance, contact the NCATS Public Information Officer
National Center for Advancing Translational Sciences (NCATS),
6701 Democracy Boulevard, Bethesda MD 20892-4874 • 301-594-8966