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

Stem definitionDrug idCAS RN
347 590-46-5

Description:

MoleculeDescription

Molfile Inchi Smiles

Synonyms:

  • betaine
  • oxyneurine
  • betafin
  • glycine betaine
  • betaine anhydrous
  • betaine hydrochloride
  • betaine chloride
  • cystadane
  • betaine HCl
A naturally occurring compound that has been of interest for its role in osmoregulation. As a drug, betaine hydrochloride has been used as a source of hydrochloric acid in the treatment of hypochlorhydria. Betaine has also been used in the treatment of liver disorders, for hyperkalemia, for homocystinuria, and for gastrointestinal disturbances. (From Martindale, The Extra Pharmacopoeia, 30th ed, p1341)
  • Molecular weight: 117.15
  • Formula: C5H11NO2
  • CLOGP: -8.17
  • LIPINSKI: 0
  • HAC: 3
  • HDO: 0
  • TPSA: 40.13
  • ALOGS: -1.96
  • ROTB: 2
  • Status: OFP
    • Legend:
    OFP - off patent
    OFM - off market
    ONP - on patent

Drug dosage:

DoseUnitRoute
1 g O
6 g O

ADMET properties:

PropertyValueReference
BDDCS (Biopharmaceutical Drug Disposition Classification System) 1 Hosey CM, Chan R, Benet LZ

Approvals:

DateAgencyCompanyOrphan
Oct. 25, 1996 FDA RARE DIS THERAP

FDA Adverse Event Reporting System (Female)

None

FDA Adverse Event Reporting System (Male)

None

Pharmacologic Action:

SourceCodeDescription
ATC A09AB02 ALIMENTARY TRACT AND METABOLISM
DIGESTIVES, INCL. ENZYMES
DIGESTIVES, INCL. ENZYMES
Acid preparations
ATC A16AA06 ALIMENTARY TRACT AND METABOLISM
OTHER ALIMENTARY TRACT AND METABOLISM PRODUCTS
OTHER ALIMENTARY TRACT AND METABOLISM PRODUCTS
Amino acids and derivatives
FDA MoA N0000175804 Methylating Activity
FDA EPC N0000175805 Methylating Agent
MeSH PA D000963 Antimetabolites
MeSH PA D005765 Gastrointestinal Agents
MeSH PA D000960 Hypolipidemic Agents
MeSH PA D057847 Lipid Regulating Agents
MeSH PA D008082 Lipotropic Agents

Drug Use (View source of the data)

DiseaseRelationSNOMED_IDDOID
Homocystinuria indication 11282001 DOID:9263
Cystitis indication 38822007 DOID:1679
Klebsiella cystitis indication 60867007
Infective cystitis indication 236620008
Escherichia coli urinary tract infection indication 301011002
Bacterial urinary infection indication 312124009
Urinary tract infection caused by Klebsiella indication 369001000119100
E. Coli Pyelonephritis indication
Enterococcus Complicated UTI indication
Complicated Proteus UTI indication
Complicated UTI with Pseudomonas Aeruginosa indication
Cerebral edema contraindication 2032001
Achilles tendinitis contraindication 11654001
Lowered convulsive threshold contraindication 19260006
Short bowel syndrome contraindication 26629001 DOID:10605
Torsades de pointes contraindication 31722008
Transplantation of heart contraindication 32413006
Crohn's disease contraindication 34000006
Tendinitis contraindication 34840004 DOID:971
Hypermethioninemia contraindication 43123004
Hypokalemia contraindication 43339004
Transplant of kidney contraindication 70536003
Epilepsy contraindication 84757009 DOID:1826
Transplant of lung contraindication 88039007
Kidney disease contraindication 90708001 DOID:557
Myasthenia gravis contraindication 91637004 DOID:437
Prolonged QT interval contraindication 111975006
Gastrointestinal obstruction contraindication 126765001
Acute pancreatitis contraindication 197456007 DOID:2913
Meconium ileus contraindication 206523001
Peripheral nerve disease contraindication 302226006
Operation on gastrointestinal tract contraindication 386621005
Pseudomembranous enterocolitis contraindication 397683000
Traumatic rupture of tendon contraindication 415749005
Congenital long QT syndrome contraindication 442917000
Shoulder Tendonitis contraindication

Acid dissociation constants calculated using MoKa v3.0.0

Dissociation levelDissociation constantType (acidic/basic)
pKa1 1.89 acidic

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
homocysteine Unnatural amino acid OTHER DRUG LABEL DRUG LABEL

External reference:

IDSource
D001622 MESH_DESCRIPTOR_UI
4019632 VUID
N0000147725 NUI
C0005304 UMLSCUI
D03103 KEGG_DRUG
3SCV180C9W UNII
107-43-7 SECONDARY_CAS_RN
413645006 SNOMEDCT_US
4019632 VANDF
1512 RXNORM
43356007 SNOMEDCT_US
11810 MMSL
d04875 MMSL
006281 NDDF
004543 NDDF
247 PUBCHEM_CID
CHEBI:17750 CHEBI
CHEMBL95889 ChEMBL_ID
DB06756 DRUGBANK_ID
4550 IUPHAR_LIGAND_ID
CHEMBL1201130 ChEMBL_ID

Pharmaceutical products:

ProductCategoryIngredientsNDCFormQuantityRouteMarketingLabel
FACE IT HD PERFECT BB SPF30 PA 01 HUMAN OTC DRUG LABEL 5 51523-103 CREAM 2 mL TOPICAL OTC monograph not final 6 sections
FACE IT HD PERFECT BB SPF30 PA 02 HUMAN OTC DRUG LABEL 5 51523-104 CREAM 2 mL TOPICAL OTC monograph not final 6 sections
Cystadane HUMAN PRESCRIPTION DRUG LABEL 1 52276-400 POWDER, FOR SOLUTION 1 g ORAL NDA 15 sections
Cystadane HUMAN PRESCRIPTION DRUG LABEL 1 52276-401 POWDER, FOR SOLUTION 1 g ORAL Unapproved drug for use in drug shortage 3 sections
EnBrace HR HUMAN PRESCRIPTION DRUG LABEL 5 64661-650 CAPSULE, DELAYED RELEASE PELLETS 500 ug ORAL UNAPPROVED DRUG OTHER 12 sections
EnLyte HUMAN PRESCRIPTION DRUG LABEL 7 64661-711 CAPSULE, DELAYED RELEASE PELLETS 500 ug ORAL unapproved drug other 11 sections
Cystadane HUMAN PRESCRIPTION DRUG LABEL 1 66621-4000 POWDER, FOR SOLUTION 6 g ORAL NDA 15 sections
ATONO2 Oxygen Baby HUMAN OTC DRUG LABEL 1 70993-0005 LOTION 0.20 g TOPICAL unapproved drug other 7 sections
Wizyoung Vitamin Collagen Essence Mask Pack HUMAN OTC DRUG LABEL 1 71102-100 PATCH 0.75 g TOPICAL unapproved drug other 8 sections
Wizyoung Diamond Collagen Essence Mask Pack HUMAN OTC DRUG LABEL 1 71102-101 PATCH 0.75 g TOPICAL unapproved drug other 8 sections