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

Details

Stereochemistry ABSOLUTE
Molecular Formula C19H23ClN2O
Molecular Weight 330.852
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 4-((R)-(4-CHLOROPHENYL)PHENYLMETHYL)-1-PIPERAZINEETHANOL

SMILES

OCCN1CCN(CC1)[C@H](C2=CC=CC=C2)C3=CC=C(Cl)C=C3

InChI

InChIKey=ZJQSBXXYLQGZBR-LJQANCHMSA-N
InChI=1S/C19H23ClN2O/c20-18-8-6-17(7-9-18)19(16-4-2-1-3-5-16)22-12-10-21(11-13-22)14-15-23/h1-9,19,23H,10-15H2/t19-/m1/s1

HIDE SMILES / InChI

Molecular Formula C19H23ClN2O
Molecular Weight 330.852
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 1 / 1
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 15:12:29 UTC 2023
Edited
by admin
on Sat Dec 16 15:12:29 UTC 2023
Record UNII
3MUQ2LJ1P5
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
4-((R)-(4-CHLOROPHENYL)PHENYLMETHYL)-1-PIPERAZINEETHANOL
Systematic Name English
Code System Code Type Description
PUBCHEM
28146185
Created by admin on Sat Dec 16 15:12:29 UTC 2023 , Edited by admin on Sat Dec 16 15:12:29 UTC 2023
PRIMARY
CAS
705289-61-8
Created by admin on Sat Dec 16 15:12:29 UTC 2023 , Edited by admin on Sat Dec 16 15:12:29 UTC 2023
PRIMARY
FDA UNII
3MUQ2LJ1P5
Created by admin on Sat Dec 16 15:12:29 UTC 2023 , Edited by admin on Sat Dec 16 15:12:29 UTC 2023
PRIMARY
Related Record Type Details
RACEMATE -> ENANTIOMER
Related Record Type Details
PARENT -> IMPURITY