BENTIPIMINE

U.S. Department of Health & Human Services Divider Arrow

National Institutes of Health Divider Arrow

NCATS

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

Structure Search

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

Stereochemistry	RACEMIC
Additional Stereochemistry	No
Defined Stereocenters	0 / 1
E/Z Centers	0
Optical Activity	( + / - )

Description
Sources: https://books.google.ru/books?id=PQwlBQAAQBAJ&pg=PA13&lpg=PA13&dq=BENTIPIMINE+anticholinergic&source=bl&ots=-Jh1yJDmDy&sig=ACfU3U2YU3k9RPyLFQ-d8mCpIUq_ilNm8g&hl=ru&sa=X&ved=2ahUKEwiu9buco4LiAhWtpIsKHQrdBP0Q6AEwAHoECAgQAQ#v=onepage&q=BENTIPIMINE%20anticholinergic&f=false

Bentipimine was developed as an anticholinergic agent.

Approval Year

Substance Class	Chemical Created by `admin` on `Fri Dec 15 17:35:44 GMT 2023` Edited by `admin` on `Fri Dec 15 17:35:44 GMT 2023`
Record UNII	768T9DK07R
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

BENTIPIMINE

Official Name

English

1-(2-((O-CHLORO-.ALPHA.-PHENYLBENZYL)THIO)ETHYL)-4-(O-METHYLBENZYL)PIPERAZINE

Common Name

English

bentipimine [INN]

Common Name

English

Classification Tree Code System Code

NCI_THESAURUS

C29704

Created by admin on Fri Dec 15 17:35:44 GMT 2023 , Edited by admin on Fri Dec 15 17:35:44 GMT 2023

Code System Code Type Description

CAS

17692-23-8

Created by admin on Fri Dec 15 17:35:44 GMT 2023 , Edited by admin on Fri Dec 15 17:35:44 GMT 2023

PRIMARY

EVMPD

SUB05736MIG

Created by admin on Fri Dec 15 17:35:44 GMT 2023 , Edited by admin on Fri Dec 15 17:35:44 GMT 2023

PRIMARY

NCI_THESAURUS

C78061

Created by admin on Fri Dec 15 17:35:44 GMT 2023 , Edited by admin on Fri Dec 15 17:35:44 GMT 2023

PRIMARY

FDA UNII

768T9DK07R

Created by admin on Fri Dec 15 17:35:44 GMT 2023 , Edited by admin on Fri Dec 15 17:35:44 GMT 2023

PRIMARY

SMS_ID

100000086359

Created by admin on Fri Dec 15 17:35:44 GMT 2023 , Edited by admin on Fri Dec 15 17:35:44 GMT 2023

PRIMARY

EPA CompTox

DTXSID50864790

Created by admin on Fri Dec 15 17:35:44 GMT 2023 , Edited by admin on Fri Dec 15 17:35:44 GMT 2023

PRIMARY

PUBCHEM

121394

Created by admin on Fri Dec 15 17:35:44 GMT 2023 , Edited by admin on Fri Dec 15 17:35:44 GMT 2023

PRIMARY

ChEMBL

CHEMBL2104162

Created by admin on Fri Dec 15 17:35:44 GMT 2023 , Edited by admin on Fri Dec 15 17:35:44 GMT 2023

PRIMARY

INN

2422

Created by admin on Fri Dec 15 17:35:44 GMT 2023 , Edited by admin on Fri Dec 15 17:35:44 GMT 2023

PRIMARY

Related Record Type Details


					63D67B2PIJ

BENTIPIMINE, (R)-

ENANTIOMER -> RACEMATE


					2N01BOT5K7

BENTIPIMINE, (S)-

ENANTIOMER -> RACEMATE

Related Record Type Details


					768T9DK07R

ACTIVE MOIETY