BENTIAMINE HYDROCHLORIDE

Details

Stereochemistry	ACHIRAL
Molecular Formula	C26H26N4O4S.ClH
Molecular Weight	527.035
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	1
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

Cl.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=DDEDPQYNISJXLF-XTMYEIJHSA-N

InChI=1S/C26H26N4O4S.ClH/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);1H/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

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

Patents

Name

Type

Language

BENTIAMINE HYDROCHLORIDE

Common Name

English

BENZOIC ACID, THIO-, S-ESTER WITH N-((4-AMINO-2-METHYL-5-PYRIMIDINYL)METHYL)-N-(4-HYDROXY-2-MERCAPTO-1-METHYL-1-BUTENYL)FORMAMIDE, BENZOATE, HYDROCHLORIDE

Systematic Name

English

S-(2-(((4-AMINO-2-METHYLPYRIMIDIN-5-YL)METHYL)FORMYLAMINO)-1-(2-(BENZOYLOXY)ETHYL)PROP-1-EN-1-YL) BENZENECARBOTHIOATE MONOHYDROCHLORIDE

Systematic Name

English

BENZENECARBOTHIOIC ACID, S-(2-(((4-AMINO-2-METHYL-5-PYRIMIDINYL)METHYL)FORMYLAMINO)-1-(2-(BENZOYLOXY)ETHYL)-1-PROPEN-1-YL) ESTER, HYDROCHLORIDE (1:1)

Systematic Name

English

O,S-DIBENZOYL THIAMINE HYDROCHLORIDE

Common Name

English

DIBENZOYLTHIAMINE HYDROCHLORIDE

Common Name

English

BENZENECARBOTHIOIC ACID, S-(2-(((4-AMINO-2-METHYL-5-PYRIMIDINYL)METHYL)FORMYLAMINO)-1-(2-(BENZOYLOXY)ETHYL)-1-PROPENYL) ESTER, MONOHYDROCHLORIDE

Systematic Name

English

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

Systematic Name

English

BENZOIC ACID, THIO-, S-ESTER WITH N-((4-AMINO-2-METHYL-5-PYRIMIDINYL)METHYL)-N-(4-HYDROXY-2-MERCAPTO-1-METHYL-1-BUTENYL)FORMAMIDE BENZOATE (ESTER), MONOHYDROCHLORIDE

Systematic Name

English

Code System Code Type Description

ECHA (EC/EINECS)

218-279-4