Details of the Drug

General Information of Drug (ID: DMWE5EJ)

Drug Name

thiamine monophosphate

Synonyms

thiamin phosphate; thiamine monophosphate; Thiamine phosphate; thiamin monophosphate; ThMP; CHEBI:9533; 3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-4-methyl-5-[2-(phosphonooxy)ethyl]-1,3-thiazol-3-ium; 10023-48-0; 532-40-1; thiamine(1+) monophosphate; Thiazolium,3-[(4-amino-2-methyl-5-pyrimidinyl)methyl]-4-methyl-5-[2-(phosphonooxy)ethyl]-,chloride (1:1); thiazolium, 3-[(4-amino-2-methyl-5-pyrimidinyl)methyl]-4-methyl-5-[2-(phosphonooxy)ethyl]-; NCGC00164500-01; TPS; AC1L1ASN; Monophosphothiamine parent; bmse000699

Indication

Disease Entry	ICD 11	Status	REF
Discovery agent	N.A.	Investigative	[1]
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Drug Type

Small molecular drug

Structure

3D MOL is unavailable

2D MOL

Chemical Identifiers

Formula: C12H18N4O4PS+
Canonical SMILES: CC1=C(SC=[N+]1CC2=CN=C(N=C2N)C)CCOP(=O)(O)O
InChI: 1S/C12H17N4O4PS/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)/p+1
InChIKey: HZSAJDVWZRBGIF-UHFFFAOYSA-O

Cross-matching ID

PubChem CID: 1131
ChEBI ID: CHEBI:9533
CAS Number: 10023-48-0
TTD ID: D09BGX

References

1	URL: http://www.guidetopharmacology.org Nucleic Acids Res. 2015 Oct 12. pii: gkv1037. The IUPHAR/BPS Guide to PHARMACOLOGY in 2016: towards curated quantitative interactions between 1300 protein targets and 6000 ligands. (Ligand id: 4580).