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	C12H26O4S
Molecular Weight	266.397
Charge	0
Count

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

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

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 01:54:27 UTC 2023` Edited by `admin` on `Sat Dec 16 01:54:27 UTC 2023`
Record UNII	726S459UVE
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

BENTIAMINE LAURYL SULFATE

Common Name

English

BENTIAMINE LAURILSULFATE

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