BENTIAMINE

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 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

Molecular Formula	C26H26N4O4S
Molecular Weight	490.574
Charge	0
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	1
Optical Activity	NONE

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

Substance Class	Chemical Created by `admin` on `Fri Dec 15 15:34:19 GMT 2023` Edited by `admin` on `Fri Dec 15 15:34:19 GMT 2023`
Record UNII	8PUY50JWLU
Record Status	`Validated (UNII)`
Record Version

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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