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Details

Stereochemistry RACEMIC
Molecular Formula C27H31ClN2S
Molecular Weight 451.066
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of BENTIPIMINE

SMILES

CC1=CC=CC=C1CN2CCN(CCSC(C3=CC=CC=C3)C4=CC=CC=C4Cl)CC2

InChI

InChIKey=KIPJSVIZACGFEX-UHFFFAOYSA-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

HIDE SMILES / InChI

Molecular Formula C27H31ClN2S
Molecular Weight 451.066
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry RACEMIC
Additional Stereochemistry No
Defined Stereocenters 0 / 1
E/Z Centers 0
Optical Activity ( + / - )

Description

Bentipimine was developed as an anticholinergic agent.

Approval Year

Substance Class Chemical
Record UNII
768T9DK07R
Record Status Validated (UNII)
Record Version