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

Details

Stereochemistry ACHIRAL
Molecular Formula C19H29NO2
Molecular Weight 303.4398
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

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

SMILES

CC(C)(C)c1ccc(cc1)C(=O)CCCN2CCC(CC2)O

InChI

InChIKey=HUFTWIJFTZKVMR-UHFFFAOYSA-N
InChI=1S/C19H29NO2/c1-19(2,3)16-8-6-15(7-9-16)18(22)5-4-12-20-13-10-17(21)11-14-20/h6-9,17,21H,4-5,10-14H2,1-3H3

HIDE SMILES / InChI

Molecular Formula C19H29NO2
Molecular Weight 303.4398
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Sat Jun 26 11:35:30 UTC 2021
Edited
by admin
on Sat Jun 26 11:35:30 UTC 2021
Record UNII
ZGA75UV2KC
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
1-(4-(1,1-DIMETHYLETHYL)PHENYL)-4-(4-HYDROXYPIPERIDIN-1-YL)BUTAN-1-ONE
Systematic Name English
1-BUTANONE, 1-(4-(1,1-DIMETHYLETHYL)PHENYL)-4-(4-HYDROXY-1-PIPERIDINYL)-
Systematic Name English
EBASTINE RELATED COMPOUND D
USP-RS  
Common Name English
Code System Code Type Description
CAS
97928-18-2
Created by admin on Sat Jun 26 11:35:30 UTC 2021 , Edited by admin on Sat Jun 26 11:35:30 UTC 2021
PRIMARY
PUBCHEM
20261595
Created by admin on Sat Jun 26 11:35:30 UTC 2021 , Edited by admin on Sat Jun 26 11:35:30 UTC 2021
PRIMARY
FDA UNII
ZGA75UV2KC
Created by admin on Sat Jun 26 11:35:30 UTC 2021 , Edited by admin on Sat Jun 26 11:35:30 UTC 2021
PRIMARY
Related Record Type Details
PARENT -> IMPURITY