THIAMINE DICETYLSULFATE

Details

Stereochemistry	ACHIRAL
Molecular Formula	C16H34O4S.C16H33O4S.C12H17N4OS
Molecular Weight	909.354
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

CC1=C(CCO)SC=[N+]1CC2=CN=C(C)N=C2N.CCCCCCCCCCCCCCCCOS(O)(=O)=O.CCCCCCCCCCCCCCCCOS([O-])(=O)=O

InChI

InChIKey=HVIVKYLMXRWCDK-UHFFFAOYSA-M

InChI=1S/2C16H34O4S.C12H17N4OS/c2*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-21(17,18)19;1-8-11(3-4-17)18-7-16(8)6-10-5-14-9(2)15-12(10)13/h2*2-16H2,1H3,(H,17,18,19);5,7,17H,3-4,6H2,1-2H3,(H2,13,14,15)/q;;+1/p-1

HIDE SMILES / InChI

Molecular Formula	C16H34O4S
Molecular Weight	322.504
Charge	0
Count

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

Molecular Formula	C12H16N4OS
Molecular Weight	264.347
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 15:21:25 UTC 2023` Edited by `admin` on `Fri Dec 15 15:21:25 UTC 2023`
Record UNII	25Z6V0JJ9I
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

THIAMINE DICETYLSULFATE

Common Name

English

THIAZOLIUM, 3-((4-AMINO-2-METHYL-5-PYRIMIDINYL)METHYL)-5-(2-HYDROXYETHYL)-4-METHYL-, HEXADECYL SULFATE, HEXADECYL SULFATE (1:1:1)

Common Name

English

VITAMIN B1 DICETYLSUFATE

Common Name

English

Code System Code Type Description

FDA UNII

25Z6V0JJ9I

Created by admin on Fri Dec 15 15:21:25 UTC 2023 , Edited by admin on Fri Dec 15 15:21:25 UTC 2023

PRIMARY

PUBCHEM

71587132

Created by admin on Fri Dec 15 15:21:25 UTC 2023 , Edited by admin on Fri Dec 15 15:21:25 UTC 2023

PRIMARY

CAS

35860-05-0

Created by admin on Fri Dec 15 15:21:25 UTC 2023 , Edited by admin on Fri Dec 15 15:21:25 UTC 2023

PRIMARY

EPA CompTox

DTXSID90189414

Created by admin on Fri Dec 15 15:21:25 UTC 2023 , Edited by admin on Fri Dec 15 15:21:25 UTC 2023

PRIMARY

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