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

Details

Stereochemistry RACEMIC
Molecular Formula C32H41NO3
Molecular Weight 487.674
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 1-((4RS)-4-(4-(1,1-DIMETHYLETHYL)PHENYL)-4-HYDROXYBUTYL)-4-(HYDROXYDIPHENYLMETHYL)PIPERIDINE 1-OXIDE

SMILES

CC(C)(C)c1ccc(cc1)C(CCCN2(=O)CCC(CC2)C(c3ccccc3)(c4ccccc4)O)O

InChI

InChIKey=CFDFVVYPNXXEDN-UHFFFAOYSA-N
InChI=1S/C32H41NO3/c1-31(2,3)26-18-16-25(17-19-26)30(34)15-10-22-33(36)23-20-29(21-24-33)32(35,27-11-6-4-7-12-27)28-13-8-5-9-14-28/h4-9,11-14,16-19,29-30,34-35H,10,15,20-24H2,1-3H3

HIDE SMILES / InChI

Molecular Formula C32H41NO3
Molecular Weight 487.674
Charge 0
Count
Stereochemistry RACEMIC
Additional Stereochemistry No
Defined Stereocenters 0 / 1
E/Z Centers 0
Optical Activity ( + / - )

Approval Year

Substance Class Chemical
Created
by admin
on Fri Jun 25 21:00:01 UTC 2021
Edited
by admin
on Fri Jun 25 21:00:01 UTC 2021
Record UNII
ZQB8G2S2RB
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
1-((4RS)-4-(4-(1,1-DIMETHYLETHYL)PHENYL)-4-HYDROXYBUTYL)-4-(HYDROXYDIPHENYLMETHYL)PIPERIDINE 1-OXIDE
Systematic Name English
1-PIPERIDINEBUTANOL, .ALPHA.-(4-(1,1-DIMETHYLETHYL)PHENYL)-4-(HYDROXYDIPHENYLMETHYL)-, 1-OXIDE
Systematic Name English
TERFENADINE IMPURITY C [EP]
Common Name English
Code System Code Type Description
CAS
634901-83-0
Created by admin on Fri Jun 25 21:00:01 UTC 2021 , Edited by admin on Fri Jun 25 21:00:01 UTC 2021
PRIMARY
PUBCHEM
87728825
Created by admin on Fri Jun 25 21:00:01 UTC 2021 , Edited by admin on Fri Jun 25 21:00:01 UTC 2021
PRIMARY
FDA UNII
ZQB8G2S2RB
Created by admin on Fri Jun 25 21:00:01 UTC 2021 , Edited by admin on Fri Jun 25 21:00:01 UTC 2021
PRIMARY
Related Record Type Details
PARENT -> IMPURITY
CHROMATOGRAPHIC PURITY (HPLC/UV)
EP