thiamine Indications/Contra | FAERs-F | FAERs-M | Orange Bk | BioActivity |

Stem definitionDrug idCAS RN
2832 59-43-8

Description:

MoleculeDescription

Molfile Inchi Smiles

Synonyms:

  • thiamine
  • vitamin B1
  • thiamine hydrochloride
  • thiamine mononitrate
  • thiamine (vit B1)
  • thiamine HCl
3-((4-Amino-2-methyl-5-pyrimidinyl)methyl)-5-(2- hydroxyethyl)-4-methylthiazolium chloride.
  • Molecular weight: 265.35
  • Formula: C12H17N4OS
  • CLOGP: -4.56
  • LIPINSKI: 0
  • HAC: 5
  • HDO: 2
  • TPSA: 75.91
  • ALOGS: -4.29
  • ROTB: 4

  • Status: OFP

  • Legend:
    OFP - off patent
    OFM - off market
    ONP - on patent

Drug dosage:

DoseUnitRoute
50 mg O
50 mg P

ADMET properties:

PropertyValueReference
BDDCS (Biopharmaceutical Drug Disposition Classification System) 3 Benet LZ, Broccatelli F, Oprea TI
S (Water solubility) 27 mg/mL Benet LZ, Broccatelli F, Oprea TI
EoM (Fraction excreted unchanged in urine) 90 % Benet LZ, Broccatelli F, Oprea TI
MRTD (Maximum Recommended Therapeutic Daily Dose) 5.55 ┬ÁM/kg/day Contrera JF, Matthews EJ, Kruhlak NL, Benz RD
BA (Bioavailability) 4.50 % Kim MT, Sedykh A, Chakravarti SK, Saiakhov RD, Zhu H

Approvals:

DateAgencyCompanyOrphan
Dec. 29, 1993 FDA HOSPIRA

FDA Adverse Event Reporting System (Female)

MedDRA adverse event termLikelihood ratioLikelihood ratio thresholdPatients taking drug having adverse eventPatients taking drug not having adverse eventPatients not taking drug having adverse eventPatients not taking drug not having adverse event
Pneumonia aspiration 321.29 52.13 52 156 3690 2354187
Coma 281.84 52.13 53 155 9003 2348874
Gastrooesophageal reflux disease 281.61 52.13 53 155 9042 2348835
Somnolence 231.46 52.13 53 155 23432 2334445
Sputum discoloured 62.50 52.13 11 197 1155 2356722

FDA Adverse Event Reporting System (Male)

MedDRA adverse event termLikelihood ratioLikelihood ratio thresholdPatients taking drug having adverse eventPatients taking drug not having adverse eventPatients not taking drug having adverse eventPatients not taking drug not having adverse event

Pharmacologic Action:

SourceCodeDescription
ATC A11DA01 ALIMENTARY TRACT AND METABOLISM
VITAMINS
VITAMIN B1, PLAIN AND IN COMBINATION WITH VITAMIN B6 AND B12
Vitamin B1, plain
MeSH PA D018977 Micronutrients
MeSH PA D014815 Vitamins
MeSH PA D014803 Vitamin B Complex

Drug Use (View source of the data)

DiseaseRelationSNOMED_IDDOID
Korsakoff's psychosis indication 69482004 DOID:10915
Pernicious anemia indication 84027009 DOID:13381
Vitamin deficiency indication 85670002
Mineral deficiency indication 111379007
Cobalamin deficiency indication 190634004
Thiamin deficiency indication 399357009 DOID:0070313
Vitamin Deficiency Prevention indication
Mineral Deficiency Prevention indication
Prevention of Vitamin B12 Deficiency indication
Methylmalonic acidemia off-label use 42393006
Necrotizing enterocolitis in fetus OR newborn contraindication 2707005
Alcoholism contraindication 7200002
Peptic ulcer contraindication 13200003 DOID:750
Myocardial infarction contraindication 22298006 DOID:5844
Hypertensive disorder contraindication 38341003 DOID:10763
Gastrointestinal ulcer contraindication 40845000
Hypokalemia contraindication 43339004
Conduction disorder of the heart contraindication 44808001
Chronic heart failure contraindication 48447003
Gastrointestinal perforation contraindication 51875005
Gastrectomy contraindication 53442002
Leber's optic atrophy contraindication 58610003 DOID:705
Hepatic failure contraindication 59927004
Blood coagulation disorder contraindication 64779008 DOID:1247
Agoraphobia contraindication 70691001 DOID:593
Gastrointestinal hemorrhage contraindication 74474003
Atrophic gastritis contraindication 84568007 DOID:8929
Kidney disease contraindication 90708001 DOID:557
Hemophilia contraindication 90935002
Seizure disorder contraindication 128613002
Obsessive-compulsive disorder contraindication 191736004 DOID:10933
Insomnia contraindication 193462001
Impaired renal function disorder contraindication 197663003
Coronary artery bypass graft contraindication 232717009
Disease of liver contraindication 235856003 DOID:409
Pregnancy, function contraindication 289908002
Panic disorder contraindication 371631005 DOID:594
Cardiovascular event risk contraindication 395112001
Myocardial ischemia contraindication 414795007 DOID:3393
Myocardial infarction in recovery phase contraindication 418044006
Smokes tobacco daily contraindication 449868002
Acute Thromboembolic Stroke contraindication

Acid dissociation constants calculated using MoKa v3.0.0

Dissociation levelDissociation constantType (acidic/basic)
pKa1 4.94 Basic

Orange Book patent data (new drug applications)

None

Orange Book exclusivity data (new drug applications)

None

Bioactivity Summary:

TargetClassPharosUniProtActionTypeActivity value
(-log[M])
Mechanism
action
Bioact sourceMoA source
Heat shock protein HSP 90-alpha Cytosolic other IC50 4.90 CHEMBL
Transketolase-like protein 1 Enzyme WOMBAT-PK
Thiamine-triphosphatase Enzyme WOMBAT-PK
Thiamin pyrophosphokinase 1 Kinase WOMBAT-PK
Transketolase Enzyme WOMBAT-PK
Thiamine transporter 1 Transporter WOMBAT-PK

External reference:

IDSource
4017777 VUID
N0000146138 NUI
C0039840 UMLSCUI
D08580 KEGG_DRUG
30306003 SNOMEDCT_US
259659006 SNOMEDCT_US
4017474 VANDF
4017777 VANDF
41397 MMSL
10454 RXNORM
d03130 MMSL
1096 MMSL
5681 MMSL
001061 NDDF
8K0I04919X UNII
532-43-4 SECONDARY_CAS_RN
CHEBI:49105 CHEBI
CHEMBL1547 ChEMBL_ID
DB00152 DRUGBANK_ID
CHEMBL1588 ChEMBL_ID
VIB PDB_CHEM_ID
432 INN_ID
1130 PUBCHEM_CID
CHEMBL1200941 ChEMBL_ID
D013831 MESH_DESCRIPTOR_UI
CHEMBL2104496 ChEMBL_ID
4629 IUPHAR_LIGAND_ID

Pharmaceutical products:

ProductCategoryIngredientsNDCFormQuantityRouteMarketingLabel
NataFort HUMAN PRESCRIPTION DRUG LABEL 10 0178-0716 TABLET 2 mg ORAL Unapproved drug other 12 sections
CitraNatal 90 DHA HUMAN PRESCRIPTION DRUG LABEL 13 0178-0821 TABLET 3 mg ORAL unapproved drug other 10 sections
CitraNatal 90 DHA HUMAN OTC DRUG LABEL 10 0178-0829 TABLET 3 mg ORAL Unapproved drug other 10 sections
CitraNatal Rx HUMAN PRESCRIPTION DRUG LABEL 11 0178-0858 TABLET 3 mg ORAL Unapproved drug other 11 sections
CitraNatal Rx HUMAN PRESCRIPTION DRUG LABEL 12 0178-0859 TABLET 3 mg ORAL Unapproved drug other 8 sections
CitraNatal Assure HUMAN PRESCRIPTION DRUG LABEL 13 0178-0891 KIT 3 mg None unapproved drug other 12 sections
CitraNatal Assure HUMAN PRESCRIPTION DRUG LABEL 14 0178-0893 KIT 3 mg None Unapproved drug other 12 sections
CitraNatal DHA HUMAN PRESCRIPTION DRUG LABEL 14 0178-0894 KIT 3 mg None unapproved drug other 11 sections
CitraNatal DHA HUMAN OTC DRUG LABEL 12 0178-0898 TABLET 3 mg ORAL Unapproved drug other 10 sections
Multi-Vit with Fluoride HUMAN PRESCRIPTION DRUG LABEL 10 0603-1449 SOLUTION 0.50 mg ORAL UNAPPROVED DRUG OTHER 11 sections
Multi-Vit with Fluoride HUMAN PRESCRIPTION DRUG LABEL 10 0603-1450 SOLUTION 0.50 mg ORAL UNAPPROVED DRUG OTHER 11 sections
Multi-Vit with Fluoride and Iron HUMAN PRESCRIPTION DRUG LABEL 10 0603-1452 SOLUTION 0.50 mg ORAL UNAPPROVED DRUG OTHER 11 sections
Vitafol HUMAN PRESCRIPTION DRUG LABEL 11 0642-0070 CAPSULE, GELATIN COATED 1.60 mg ORAL unapproved drug other 6 sections
Vitafol HUMAN PRESCRIPTION DRUG LABEL 12 0642-0092 CAPSULE, LIQUID FILLED 1.60 mg ORAL UNAPPROVED DRUG OTHER 10 sections
Strovite One HUMAN PRESCRIPTION DRUG LABEL 17 0642-0207 TABLET 20 mg ORAL UNAPPROVED DRUG OTHER 10 sections
Reaphirm Plant Source DHA HUMAN PRESCRIPTION DRUG LABEL 11 0642-3010 CAPSULE, GELATIN COATED 1.60 mg ORAL unapproved drug other 6 sections
O-Cal Prenatal Vitamin HUMAN PRESCRIPTION DRUG LABEL 12 0813-0202 TABLET 1.50 mg ORAL UNAPPROVED DRUG OTHER 6 sections
PRENATAL PLUS HUMAN PRESCRIPTION DRUG LABEL 15 10544-549 TABLET, FILM COATED 1.84 mg ORAL unapproved drug other 8 sections
Se-Natal 19 HUMAN PRESCRIPTION DRUG LABEL 14 13925-116 TABLET 3 mg ORAL unapproved drug other 14 sections
TriStart DHA HUMAN PRESCRIPTION DRUG LABEL 15 15370-250 CAPSULE, LIQUID FILLED 1.30 mg ORAL UNAPPROVED DRUG OTHER 11 sections
thiamine hydrochloride HUMAN PRESCRIPTION DRUG LABEL 1 25021-500 INJECTION, SOLUTION 100 mg INTRAMUSCULAR ANDA 12 sections
B-PLEX 100 HUMAN PRESCRIPTION DRUG LABEL 5 30727-300 INJECTION, SOLUTION 100 mg INTRAMUSCULAR unapproved drug other 10 sections
Prenatal Vitamins Plus Low Iron HUMAN PRESCRIPTION DRUG LABEL 13 39328-106 TABLET 1.84 mg ORAL Unapproved drug other 8 sections
Bal-Care DHA HUMAN PRESCRIPTION DRUG LABEL 16 42546-180 KIT 1.80 mg None unapproved drug other 4 sections
Bal-Care DHA Essential HUMAN PRESCRIPTION DRUG LABEL 16 42546-185 KIT 1.80 mg None unapproved drug other 4 sections
Moms Choice Rx HUMAN PRESCRIPTION DRUG LABEL 14 42546-190 KIT 1.50 mg None unapproved drug other 5 sections
PR Natal 400 ec HUMAN PRESCRIPTION DRUG LABEL 14 42546-517 KIT 1.80 mg None unapproved drug other 11 sections
PR Natal 430 ec HUMAN PRESCRIPTION DRUG LABEL 14 42546-518 KIT 1.80 mg None unapproved drug other 11 sections
PR Natal 400 HUMAN PRESCRIPTION DRUG LABEL 14 42546-811 KIT 1.80 mg None unapproved drug other 11 sections
PR Natal 430 HUMAN PRESCRIPTION DRUG LABEL 14 42546-812 KIT 1.80 mg None unapproved drug other 11 sections