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

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	ClH
Molecular Weight	36.461
Charge	0
Count

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

Approval Year

Substance Class	Chemical Created by `admin` on `Fri Dec 15 19:48:53 UTC 2023` Edited by `admin` on `Fri Dec 15 19:48:53 UTC 2023`
Record UNII	5NN51N973R
Record Status	`Validated (UNII)`
Record Version

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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