ALLITHIAMINE

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NCATS

Details

Stereochemistry	ACHIRAL
Molecular Formula	C15H22N4O2S2
Molecular Weight	354.491
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	1
Charge	0

SHOW SMILES / InChI

Structure of ALLITHIAMINE

Structure Search

SMILES

C\C(N(CC1=CN=C(C)N=C1N)C=O)=C(/CCO)SSCC=C

InChI

InChIKey=WNCAVNGLACHSRZ-KAMYIIQDSA-N

InChI=1S/C15H22N4O2S2/c1-4-7-22-23-14(5-6-20)11(2)19(10-21)9-13-8-17-12(3)18-15(13)16/h4,8,10,20H,1,5-7,9H2,2-3H3,(H2,16,17,18)/b14-11-

HIDE SMILES / InChI

Molecular Formula	C15H22N4O2S2
Molecular Weight	354.491
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 `Fri Dec 15 18:36:01 GMT 2023` Edited by `admin` on `Fri Dec 15 18:36:01 GMT 2023`
Record UNII	83SWN21920
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

ALLITHIAMINE

Common Name

English

THIAMINE ALLYL DISULFIDE

Common Name

English

N-((4-AMINO-2-METHYLPYRIMIDIN-5-YL)METHYL)-N-((1Z)-4-HYDROXY-1-METHYL-2-(PROP-2-EN-1-YLDISULFANYL)BUT-1-EN-1-YL)FORMAMIDE

Systematic Name

English

Code System Code Type Description

FDA UNII

83SWN21920

Created by admin on Fri Dec 15 18:36:01 GMT 2023 , Edited by admin on Fri Dec 15 18:36:01 GMT 2023

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WIKIPEDIA

ALLITHIAMINE

Created by admin on Fri Dec 15 18:36:01 GMT 2023 , Edited by admin on Fri Dec 15 18:36:01 GMT 2023

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EPA CompTox

DTXSID70903716

Created by admin on Fri Dec 15 18:36:01 GMT 2023 , Edited by admin on Fri Dec 15 18:36:01 GMT 2023

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PUBCHEM

3037212

Created by admin on Fri Dec 15 18:36:01 GMT 2023 , Edited by admin on Fri Dec 15 18:36:01 GMT 2023

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CAS

554-44-9

Created by admin on Fri Dec 15 18:36:01 GMT 2023 , Edited by admin on Fri Dec 15 18:36:01 GMT 2023

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