BENCISTEINE

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NCATS

Details

Stereochemistry	EPIMERIC
Molecular Formula	C15H19NO4S
Molecular Weight	309.381
Optical Activity	UNSPECIFIED
Defined Stereocenters	1 / 2
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of BENCISTEINE

Structure Search

SMILES

CC(CSC[C@H](NC(C)=O)C(O)=O)C(=O)C1=CC=CC=C1

InChI

InChIKey=FXPSJTKESYQXLX-HQVZTVAUSA-N

InChI=1S/C15H19NO4S/c1-10(14(18)12-6-4-3-5-7-12)8-21-9-13(15(19)20)16-11(2)17/h3-7,10,13H,8-9H2,1-2H3,(H,16,17)(H,19,20)/t10?,13-/m0/s1

HIDE SMILES / InChI

Molecular Formula	C15H19NO4S
Molecular Weight	309.381
Charge	0
Count

Stereochemistry	EPIMERIC
Additional Stereochemistry	No
Defined Stereocenters	1 / 2
E/Z Centers	0
Optical Activity	UNSPECIFIED

Description
Sources: https://books.google.ru/books?id=0vXTBwAAQBAJ&pg=PA126&lpg=PA126&dq=BENCISTEINE&source=bl&ots=6JTkv3Ywrx&sig=ACfU3U3XJMNMPv9BGsfHtoTenpFxqbZcvQ&hl=ru&sa=X&ved=2ahUKEwiMtOvQ-f3hAhURs4sKHYbgB5g4ChDoATAIegQICBAB#v=onepage&q=BENCISTEINE&f=false

Bencisteine was developed as an antitussive, mucolytic 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	9205LF98OL
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

BENCISTEINE

Official Name

English

bencisteine [INN]

Common Name

English

N-ACETYL-3-((2-BENZOYLPROPYL)THIO)ALANINE

Systematic Name

English

Classification Tree Code System Code

NCI_THESAURUS

C66917

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

NCI_THESAURUS

C74536

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

42293-72-1

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

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SMS_ID

100000086592

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

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NCI_THESAURUS

C77594

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

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FDA UNII

9205LF98OL

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

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INN

3468

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

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EPA CompTox

DTXSID60962413

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

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EVMPD

SUB05703MIG

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

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ChEMBL

CHEMBL2104015

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

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PUBCHEM

184843

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

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					9205LF98OL

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