BENTIAMINE

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

National Institutes of Health Divider Arrow

NCATS

Details

Stereochemistry	ACHIRAL
Molecular Formula	C26H26N4O4S
Molecular Weight	490.574
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	1
Charge	0

SHOW SMILES / InChI

Structure of BENTIAMINE

Structure Search

SMILES

C\C(N(CC1=CN=C(C)N=C1N)C=O)=C(/CCOC(=O)C2=CC=CC=C2)SC(=O)C3=CC=CC=C3

InChI

InChIKey=AZJUFRDUYTYIHV-NKFKGCMQSA-N

InChI=1S/C26H26N4O4S/c1-18(30(17-31)16-22-15-28-19(2)29-24(22)27)23(35-26(33)21-11-7-4-8-12-21)13-14-34-25(32)20-9-5-3-6-10-20/h3-12,15,17H,13-14,16H2,1-2H3,(H2,27,28,29)/b23-18-

HIDE SMILES / InChI

Description
Sources: https://www.ncbi.nlm.nih.gov/pubmed/4024157

Bentiamine (also known as dibenzoyl thiamine), a derivative of thiamine, is rapidly absorbed and converted to thiamine. Experiments on rodent have shown that this compound had low toxicity and absence of carcinogenicity.

Approval Year

PubMed

PubMed

Title	Date	PubMed
Tumorigenic and toxic effect of O,S-dibenzoyl thiamine hydrochloride in prolonged dietary administration to rats.	1985 Jul	4024157

Patents

Patents

Name

Type

Language

BENTIAMINE

Official Name

English

Bentiamine [WHO-DD]

Common Name

English

DIBENZOYLTHIAMINE

Common Name

English

bentiamine [INN]

Common Name

English

N-((4-AMINO-2-METHYL-5-PYRIMIDINYL)METHYL)-N-(4-HYDROXY-2-MERCAPTO-1-METHYL-1-BUTENYL)FORMAMIDE O,S-DIBENZOATE

Common Name

English

Classification Tree Code System Code

NCI_THESAURUS

C45812

Created by admin on Fri Dec 15 15:34:19 GMT 2023 , Edited by admin on Fri Dec 15 15:34:19 GMT 2023

Code System Code Type Description

ECHA (EC/EINECS)

206-084-7

Created by admin on Fri Dec 15 15:34:19 GMT 2023 , Edited by admin on Fri Dec 15 15:34:19 GMT 2023

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PUBCHEM

3036235

Created by admin on Fri Dec 15 15:34:19 GMT 2023 , Edited by admin on Fri Dec 15 15:34:19 GMT 2023

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SMS_ID

100000086378

Created by admin on Fri Dec 15 15:34:19 GMT 2023 , Edited by admin on Fri Dec 15 15:34:19 GMT 2023

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INN

1468

Created by admin on Fri Dec 15 15:34:19 GMT 2023 , Edited by admin on Fri Dec 15 15:34:19 GMT 2023

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EVMPD

SUB05735MIG

Created by admin on Fri Dec 15 15:34:19 GMT 2023 , Edited by admin on Fri Dec 15 15:34:19 GMT 2023

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EPA CompTox

DTXSID7043827

Created by admin on Fri Dec 15 15:34:19 GMT 2023 , Edited by admin on Fri Dec 15 15:34:19 GMT 2023

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ChEMBL

CHEMBL2106533

Created by admin on Fri Dec 15 15:34:19 GMT 2023 , Edited by admin on Fri Dec 15 15:34:19 GMT 2023

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FDA UNII

8PUY50JWLU

Created by admin on Fri Dec 15 15:34:19 GMT 2023 , Edited by admin on Fri Dec 15 15:34:19 GMT 2023

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NCI_THESAURUS

C77084

Created by admin on Fri Dec 15 15:34:19 GMT 2023 , Edited by admin on Fri Dec 15 15:34:19 GMT 2023

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MESH

C023638

Created by admin on Fri Dec 15 15:34:19 GMT 2023 , Edited by admin on Fri Dec 15 15:34:19 GMT 2023

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CAS

299-88-7

Created by admin on Fri Dec 15 15:34:19 GMT 2023 , Edited by admin on Fri Dec 15 15:34:19 GMT 2023

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ACTIVE MOIETY


					8PUY50JWLU

SALT/SOLVATE (PARENT)


					726S459UVE

BENTIAMINE LAURYL SULFATE

SALT/SOLVATE (PARENT)


					5NN51N973R

BENTIAMINE HYDROCHLORIDE