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

Details

Stereochemistry ABSOLUTE
Molecular Formula C34H33ClN2O2
Molecular Weight 537.091
Optical Activity UNSPECIFIED
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 5-(4-Chlorophenyl)-?-[2-(dimethylamino)ethyl]-2-methoxy-?-1-naphthalenyl-?-phenyl-3-pyridineethanol, (?R,?S)-

SMILES

COC1=NC=C(C=C1[C@H](C2=CC=CC=C2)[C@](O)(CCN(C)C)C3=C4C=CC=CC4=CC=C3)C5=CC=C(Cl)C=C5

InChI

InChIKey=MMUCHWPQRGEHDV-TWJUONSBSA-N
InChI=1S/C34H33ClN2O2/c1-37(2)21-20-34(38,31-15-9-13-25-10-7-8-14-29(25)31)32(26-11-5-4-6-12-26)30-22-27(23-36-33(30)39-3)24-16-18-28(35)19-17-24/h4-19,22-23,32,38H,20-21H2,1-3H3/t32-,34-/m0/s1

HIDE SMILES / InChI

Molecular Formula C34H33ClN2O2
Molecular Weight 537.091
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 2 / 2
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Wed Apr 02 17:22:06 GMT 2025
Edited
by admin
on Wed Apr 02 17:22:06 GMT 2025
Record UNII
JL8NG3HEW9
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
5-(4-Chlorophenyl)-?-[2-(dimethylamino)ethyl]-2-methoxy-?-1-naphthalenyl-?-phenyl-3-pyridineethanol, (?R,?S)-
Systematic Name English
(?R,?S)-5-(4-Chlorophenyl)-?-[2-(dimethylamino)ethyl]-2-methoxy-?-1-naphthalenyl-?-phenyl-3-pyridineethanol
Preferred Name English
3-Pyridineethanol, 5-(4-chlorophenyl)-?-[2-(dimethylamino)ethyl]-2-methoxy-?-1-naphthalenyl-?-phenyl-, (?R,?S)-
Systematic Name English
Code System Code Type Description
PUBCHEM
153982247
Created by admin on Wed Apr 02 17:22:06 GMT 2025 , Edited by admin on Wed Apr 02 17:22:06 GMT 2025
PRIMARY
FDA UNII
JL8NG3HEW9
Created by admin on Wed Apr 02 17:22:06 GMT 2025 , Edited by admin on Wed Apr 02 17:22:06 GMT 2025
PRIMARY
CAS
1859978-70-3
Created by admin on Wed Apr 02 17:22:06 GMT 2025 , Edited by admin on Wed Apr 02 17:22:06 GMT 2025
PRIMARY
Related Record Type Details
ENANTIOMER -> ENANTIOMER
RACEMATE -> ENANTIOMER