MONOPHOSPHOTHIAMINE DIHYDRATE

Details

Stereochemistry	ACHIRAL
Molecular Formula	C12H18N4O4PS.Cl.2H2O
Molecular Weight	416.818
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of MONOPHOSPHOTHIAMINE DIHYDRATE

Structure Search

SMILES

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

InChI

InChIKey=FANVXQCOBPOPEG-UHFFFAOYSA-N

InChI=1S/C12H17N4O4PS.ClH.2H2O/c1-8-11(3-4-20-21(17,18)19)22-7-16(8)6-10-5-14-9(2)15-12(10)13;;;/h5,7H,3-4,6H2,1-2H3,(H3-,13,14,15,17,18,19);1H;2*1H2

HIDE SMILES / InChI

Molecular Formula	Cl
Molecular Weight	35.453
Charge	-1
Count

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

Molecular Formula	H2O
Molecular Weight	18.0153
Charge	0
Count

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

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

Description
Sources: https://www.ncbi.nlm.nih.gov/pubmed/5151224 | https://www.ncbi.nlm.nih.gov/pubmed/5734623 | https://www.ncbi.nlm.nih.gov/pubmed/676062 | https://www.rlsnet.ru/tn_index_id_5374.htm

Monophosphothiamine is thiamine derivative used for the treatment of neuritis, polyneuritis, asthenic conditions (weakness), as an additional remedy for chronic blood circulation insufficiency, chronic gastritis accompanied by motor and secretory disorders functions of the stomach. Monophosphothiamine underwent metabolic phosphorylation to active metabolite thiamine pyrophosphate, that acts as a coenzyme in the different metabolic process.

Originator

Approval Year

PubMed

Title	Date	PubMed
[Separation by ion exchange chromatography and spectrophotometric determination of cocarboxylase, monophosphothiamine and thiamine].	1971	5151224

Patents

Sample Use Guides

In Vivo Use Guide

0,01 - 0.03 g 3-4 times a day (after food) for 3-4 weeks.

Route of Administration: Oral

Substance Class	Chemical Created by `admin` on `Wed Apr 02 10:25:40 GMT 2025` Edited by `admin` on `Wed Apr 02 10:25:40 GMT 2025`
Record UNII	J75F6GA5EP
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

MONOPHOSPHOTHIAMINE DIHYDRATE

Common Name

English

THIAMINE MONOPHOSPHATE CHLORIDE DIHYDRATE

Preferred Name

English

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

Systematic Name

English

THIAMINE MONOPHOSPHATE DIHYDRATE

Common Name

English

THIAZOLIUM, 3-((4-AMINO-2-METHYL-5-PYRIMIDINYL)METHYL)-4-METHYL-5-(2-(PHOSPHONOOXY)ETHYL)-, CHLORIDE, DIHYDRATE

Systematic Name

English

3-((4-AMINO-2-METHYL-5-PYRIMIDINYL)METHYL)-4-METHYL-5-(2-(PHOSPHONOOXY)ETHYL)-THIAZOLIUM CHLORIDE DIHYDRATE

Systematic Name

English

Code System Code Type Description

CAS

273724-21-3