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