BENTIAMINE LAURYL SULFATE

Details

Stereochemistry	ACHIRAL
Molecular Formula	C26H26N4O4S.C12H26O4S
Molecular Weight	756.971
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	1
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

CCCCCCCCCCCCOS(O)(=O)=O.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=OLTVHXMQBFXARO-XTMYEIJHSA-N

InChI=1S/C26H26N4O4S.C12H26O4S/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;1-2-3-4-5-6-7-8-9-10-11-12-16-17(13,14)15/h3-12,15,17H,13-14,16H2,1-2H3,(H2,27,28,29);2-12H2,1H3,(H,13,14,15)/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

Molecular Formula	C12H26O4S
Molecular Weight	266.397
Charge	0
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	0
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.	1985-07	4024157

Patents

Substance Class	Chemical Created by `admin` on `Mon Mar 31 21:03:36 GMT 2025` Edited by `admin` on `Mon Mar 31 21:03:36 GMT 2025`
Record UNII	726S459UVE
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

BENTIAMINE LAURILSULFATE

Preferred Name

English

BENTIAMINE LAURYL SULFATE

Common Name

English

SULFURIC ACID, MONODODECYL ESTER, COMPD. WITH S-(2-(((4-AMINO-2-METHYL-5-PYRIMIDINYL)METHYL)FORMYLAMINO)-1-(2-(BENZOYLOXY)ETHYL)-1-PROPENYL) BENZENECARBOTHIOATE (1:1)

Systematic Name

English

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

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, DODECYL SULFATE

Systematic Name

English

BENZENECARBOTHIOIC ACID, S-(2-(((4-AMINO-2-METHYL-5-PYRIMIDINYL)METHYL)FORMYLAMINO)-1-(2-(BENZOYLOXY)ETHYL)-1-PROPEN-1-YL) ESTER, COMPD. WITH DODECYL HYDROGEN SULFATE (1:1)

Systematic Name

English

Bentiamine laurilsulfate [WHO-DD]

Common Name

English

Code System Code Type Description

EVMPD

SUB00707MIG