MONOPHOSPHOTHIAMINE PHOSPHATE

Details

Stereochemistry	ACHIRAL
Molecular Formula	C12H18N4O4PS.H2O4P
Molecular Weight	442.322
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of MONOPHOSPHOTHIAMINE PHOSPHATE

Structure Search

SMILES

OP(O)([O-])=O.CC1=C(CCOP(O)(O)=O)SC=[N+]1CC2=C(N)N=C(C)N=C2

InChI

InChIKey=CUWOKLAYADTBBR-UHFFFAOYSA-N

InChI=1S/C12H17N4O4PS.H3O4P/c1-8-11(3-4-20-21(17,18)19)22-7-16(8)6-10-5-14-9(2)15-12(10)13;1-5(2,3)4/h5,7H,3-4,6H2,1-2H3,(H3-,13,14,15,17,18,19);(H3,1,2,3,4)

HIDE SMILES / InChI

Molecular Formula	C12H18N4O4PS
Molecular Weight	345.334
Charge	1
Count

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

Molecular Formula	H2O4P
Molecular Weight	96.9872
Charge	-1
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 `Sat Dec 16 09:24:35 UTC 2023` Edited by `admin` on `Sat Dec 16 09:24:35 UTC 2023`
Record UNII	JS7TVM93UY
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

MONOPHOSPHOTHIAMINE PHOSPHATE

Common Name

English

Thiamine phosphoric acid ester phosphate [WHO-DD]

Common Name

English

THIAMINE PHOSPHORIC ACID ESTER PHOSPHATE SALT

Common Name

English

THIAMINE, HYDROXIDE, DIHYDROGEN PHOSPHATE (ESTER), INNER SALT, PHOSPHATE (1:1)

Common Name

English

THIAMINE PHOSPHATE (1:1) (SALT), DIHYDROGEN PHOSPHATE (ESTER)

Common Name

English

THIAZOLIUM, 3-((4-AMINO-2-METHYL-5-PYRIMIDINYL)METHYL)-4-METHYL-5-(2-(PHOSPHONOOXY)ETHYL)-, PHOSPHATE (1:1)

Systematic Name

English

THIAMINE PHOSPHORIC ACID ESTER PHOSPHATE

Common Name

English

UMBEON

Brand Name

English

Code System Code Type Description

FDA UNII

JS7TVM93UY