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

Details

Stereochemistry RACEMIC
Molecular Formula C19H25NO
Molecular Weight 283.4079
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 4-METHYL-2-((1RS)-3-((1-METHYLETHYL)AMINO)-1-PHENYLPROPYL)PHENOL

SMILES

CC(C)NCCC(C1=CC=CC=C1)C2=CC(C)=CC=C2O

InChI

InChIKey=CPLYUIYTJCFQJD-UHFFFAOYSA-N
InChI=1S/C19H25NO/c1-14(2)20-12-11-17(16-7-5-4-6-8-16)18-13-15(3)9-10-19(18)21/h4-10,13-14,17,20-21H,11-12H2,1-3H3

HIDE SMILES / InChI

Molecular Formula C19H25NO
Molecular Weight 283.4079
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 Sat Dec 16 14:47:03 UTC 2023
Edited
by admin
on Sat Dec 16 14:47:03 UTC 2023
Record UNII
956HC7TAM9
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
4-METHYL-2-((1RS)-3-((1-METHYLETHYL)AMINO)-1-PHENYLPROPYL)PHENOL
Systematic Name English
TOLTERODINE TARTRATE IMPURITY E [EP IMPURITY]
Common Name English
PHENOL, 4-METHYL-2-(3-((1-METHYLETHYL)AMINO)-1-PHENYLPROPYL)-
Systematic Name English
Code System Code Type Description
PUBCHEM
9857017
Created by admin on Sat Dec 16 14:47:03 UTC 2023 , Edited by admin on Sat Dec 16 14:47:03 UTC 2023
PRIMARY
EPA CompTox
DTXSID60431896
Created by admin on Sat Dec 16 14:47:03 UTC 2023 , Edited by admin on Sat Dec 16 14:47:03 UTC 2023
PRIMARY
CAS
480432-14-2
Created by admin on Sat Dec 16 14:47:03 UTC 2023 , Edited by admin on Sat Dec 16 14:47:03 UTC 2023
PRIMARY
FDA UNII
956HC7TAM9
Created by admin on Sat Dec 16 14:47:03 UTC 2023 , Edited by admin on Sat Dec 16 14:47:03 UTC 2023
PRIMARY
Related Record Type Details
PARENT -> IMPURITY
CHROMATOGRAPHIC PURITY (HPLC/UV)
EP