THIAMINE NAPHTHALENE-1,5-DISULFONATE

Details

Stereochemistry	ACHIRAL
Molecular Formula	C12H17N4OS.C10H7O6S2
Molecular Weight	552.644
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of THIAMINE NAPHTHALENE-1,5-DISULFONATE

Structure Search

SMILES

CC1=C(CCO)SC=[N+]1CC2=CN=C(C)N=C2N.OS(=O)(=O)C3=CC=CC4=C(C=CC=C34)S([O-])(=O)=O

InChI

InChIKey=STJLLECREIYBCK-UHFFFAOYSA-M

InChI=1S/C12H17N4OS.C10H8O6S2/c1-8-11(3-4-17)18-7-16(8)6-10-5-14-9(2)15-12(10)13;11-17(12,13)9-5-1-3-7-8(9)4-2-6-10(7)18(14,15)16/h5,7,17H,3-4,6H2,1-2H3,(H2,13,14,15);1-6H,(H,11,12,13)(H,14,15,16)/q+1;/p-1

HIDE SMILES / InChI

Molecular Formula	C10H8O6S2
Molecular Weight	288.297
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 19:45:33 UTC 2023` Edited by `admin` on `Fri Dec 15 19:45:33 UTC 2023`
Record UNII	ZWY7D9M9UB
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

THIAMINE NAPHTHALENE-1,5-DISULFONATE

Common Name

English

THIAMINE, 1,5-NAPHTHALENEDISULFONATE (1:1)

Systematic Name

English

1,5-NAPHTHALENEDISULFONIC ACID, ION(1-), THIAMINE

Systematic Name

English

3-((4-AMINO-2-METHYLPYRIMIDIN-5-YL)METHYL)-5-(2-HYDROXYETHYL)-4-METHYLTHIAZOLIUM HYDROGEN NAPHTHALENE-1,5-DISULPHONATE

Systematic Name

English

1,5-NAPHTHALENEDISULFONIC ACID, ION(1-), 3-((4-AMINO-2-METHYL-5-PYRIMIDINYL)METHYL)-5-(2-HYDROXYETHYL)-4-METHYLTHIAZOLIUM

Systematic Name

English

2-(3-((4-AMINO-2-METHYLPYRIMIDIN-5-YL)METHYL)-4-METHYL-1,3-THIAZOL-3-IUM-5-YL)ETHANOL; 5-SULFONAPHTHALENE-1-SULFONATE

Systematic Name

English

THIAZOLIUM, 3-((4-AMINO-2-METHYL-5-PYRIMIDINYL)METHYL)-5-(2-HYDROXYETHYL)-4-METHYL-, 1,5-NAPHTHALENEDISULFONATE (1:1) (SALT)

Systematic Name

English

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

Systematic Name

English

Code System Code Type Description

ECHA (EC/EINECS)

209-349-5