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Details

Stereochemistry ACHIRAL
Molecular Formula C32H39NO3
Molecular Weight 485.657
Optical Activity NONE
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 1-(4-(1,1-DIMETHYLETHYL)PHENYL)-4-(CIS-4-(DIPHENYLMETHOXY)-1-OXIDOPIPERIDIN-1-YL)-BUTAN-1-ONE

SMILES

CC(C)(C)C1=CC=C(C=C1)C(=O)CCC[N+]2([O-])CCC(CC2)OC(C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChIKey=PFOUEGNOVHBNHS-UHFFFAOYSA-N
InChI=1S/C32H39NO3/c1-32(2,3)28-18-16-25(17-19-28)30(34)15-10-22-33(35)23-20-29(21-24-33)36-31(26-11-6-4-7-12-26)27-13-8-5-9-14-27/h4-9,11-14,16-19,29,31H,10,15,20-24H2,1-3H3

HIDE SMILES / InChI

Molecular Formula C32H39NO3
Molecular Weight 485.657
Charge 0
Count
Stereochemistry RACEMIC
Additional Stereochemistry No
Defined Stereocenters 0 / 1
E/Z Centers 0
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Mon Mar 31 21:52:47 GMT 2025
Edited
by admin
on Mon Mar 31 21:52:47 GMT 2025
Record UNII
D6B5LI0E0G
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
1-(4-(1,1-DIMETHYLETHYL)PHENYL)-4-(CIS-4-(DIPHENYLMETHOXY)-1-OXIDOPIPERIDIN-1-YL)-BUTAN-1-ONE
Common Name English
EBASTINE RELATED COMPOUND G
USP-RS  
Preferred Name English
EBASTINE IMPURITY F
Common Name English
1-BUTANONE, 1-(4-(1,1-DIMETHYLETHYL)PHENYL)-4-(CIS-4-(DIPHENYLMETHOXY)-1-OXIDO-1-PIPERIDINYL)-
Systematic Name English
Code System Code Type Description
CAS
1429071-63-5
Created by admin on Mon Mar 31 21:52:47 GMT 2025 , Edited by admin on Mon Mar 31 21:52:47 GMT 2025
PRIMARY
FDA UNII
D6B5LI0E0G
Created by admin on Mon Mar 31 21:52:47 GMT 2025 , Edited by admin on Mon Mar 31 21:52:47 GMT 2025
PRIMARY
PUBCHEM
129318590
Created by admin on Mon Mar 31 21:52:47 GMT 2025 , Edited by admin on Mon Mar 31 21:52:47 GMT 2025
PRIMARY
Related Record Type Details
PARENT -> IMPURITY