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Details

Stereochemistry ABSOLUTE
Molecular Formula C27H31ClN2S
Molecular Weight 451.066
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of BENTIPIMINE, (R)-

SMILES

CC1=CC=CC=C1CN2CCN(CCS[C@H](C3=CC=CC=C3)C4=CC=CC=C4Cl)CC2

InChI

InChIKey=KIPJSVIZACGFEX-HHHXNRCGSA-N
InChI=1S/C27H31ClN2S/c1-22-9-5-6-12-24(22)21-30-17-15-29(16-18-30)19-20-31-27(23-10-3-2-4-11-23)25-13-7-8-14-26(25)28/h2-14,27H,15-21H2,1H3/t27-/m1/s1

HIDE SMILES / InChI

Molecular Formula C27H31ClN2S
Molecular Weight 451.066
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 Fri Dec 15 16:33:16 GMT 2023
Edited
by admin
on Fri Dec 15 16:33:16 GMT 2023
Record UNII
63D67B2PIJ
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
BENTIPIMINE, (R)-
Common Name English
PIPERAZINE, 1-(2-(((2-CHLOROPHENYL)PHENYLMETHYL)THIO)ETHYL)-4-((2-METHYLPHENYL)METHYL), (R)-
Systematic Name English
Code System Code Type Description
PUBCHEM
76957188
Created by admin on Fri Dec 15 16:33:16 GMT 2023 , Edited by admin on Fri Dec 15 16:33:16 GMT 2023
PRIMARY
FDA UNII
63D67B2PIJ
Created by admin on Fri Dec 15 16:33:16 GMT 2023 , Edited by admin on Fri Dec 15 16:33:16 GMT 2023
PRIMARY
Related Record Type Details
RACEMATE -> ENANTIOMER