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

Details

Stereochemistry RACEMIC
Molecular Formula C17H20O2
Molecular Weight 256.3395
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of (3RS)-3-(2-METHOXY-5-METHYLPHENYL)-3-PHENYLPROPAN-1-OL

SMILES

COC1=CC=C(C)C=C1C(CCO)C2=CC=CC=C2

InChI

InChIKey=OCGTUTJXBDQGKL-UHFFFAOYSA-N
InChI=1S/C17H20O2/c1-13-8-9-17(19-2)16(12-13)15(10-11-18)14-6-4-3-5-7-14/h3-9,12,15,18H,10-11H2,1-2H3

HIDE SMILES / InChI

Molecular Formula C17H20O2
Molecular Weight 256.3395
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 15:18:12 UTC 2023
Edited
by admin
on Sat Dec 16 15:18:12 UTC 2023
Record UNII
7UH4HA2MDE
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
(3RS)-3-(2-METHOXY-5-METHYLPHENYL)-3-PHENYLPROPAN-1-OL
Systematic Name English
2-METHOXY-5-METHYL-.GAMMA.-PHENYLBENZENEPROPANOL
Systematic Name English
BENZENEPROPANOL, 2-METHOXY-5-METHYL-.GAMMA.-PHENYL-
Systematic Name English
3-(2-METHOXY-5-METHYLPHENYL)-3-PHENYLPROPANOL
Systematic Name English
TOLTERODINE TARTRATE IMPURITY A [EP IMPURITY]
Common Name English
Code System Code Type Description
CAS
124937-73-1
Created by admin on Sat Dec 16 15:18:12 UTC 2023 , Edited by admin on Sat Dec 16 15:18:12 UTC 2023
PRIMARY
PUBCHEM
11161175
Created by admin on Sat Dec 16 15:18:12 UTC 2023 , Edited by admin on Sat Dec 16 15:18:12 UTC 2023
PRIMARY
EPA CompTox
DTXSID50457328
Created by admin on Sat Dec 16 15:18:12 UTC 2023 , Edited by admin on Sat Dec 16 15:18:12 UTC 2023
PRIMARY
FDA UNII
7UH4HA2MDE
Created by admin on Sat Dec 16 15:18:12 UTC 2023 , Edited by admin on Sat Dec 16 15:18:12 UTC 2023
PRIMARY
Related Record Type Details
PARENT -> IMPURITY
CHROMATOGRAPHIC PURITY (HPLC/UV)
EP