benzoic acid indications/contra

Stem definitionDrug idCAS RN
4664 65-85-0

Description:

MoleculeDescription

Molfile Inchi Smiles

Synonyms:

  • benzoic acid
  • benzenecarboxylic acid
  • benzeneformic acid
  • benzenemethanoic acid
A fungistatic compound that is widely used as a food preservative. It is conjugated to GLYCINE in the liver and excreted as hippuric acid.
  • Molecular weight: 122.12
  • Formula: C7H6O2
  • CLOGP: 1.88
  • LIPINSKI: 0
  • HAC: 2
  • HDO: 1
  • TPSA: 37.30
  • ALOGS: -1.24
  • ROTB: 1

Drug dosage:

None

Approvals:

DateAgencyCompanyOrphan
None FDA

FDA Adverse Event Reporting System

None

Pharmacologic Action:

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SourceCodeDescription
FDA MoA N0000175806 Ammonium Ion Binding Activity
FDA EPC N0000175807 Nitrogen Binding Agent
MeSH PA D000890 Anti-Infective Agents
MeSH PA D000935 Antifungal Agents
MeSH PA D005503 Food Additives
MeSH PA D005520 Food Preservatives
CHEBI has role CHEBI:65256 antimicrobial food preservative
CHEBI has role CHEBI:88188 drug allergen

Drug Use (View source of the data)

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DiseaseRelationSNOMED_IDDOID
Induratio penis plastica indication 1335005 DOID:8616
Hyperammonemia indication 9360008
Pemphigus indication 65172003 DOID:9182
Systemic sclerosis indication 89155008 DOID:419
Morphea indication 201049004
Dermatomyositis indication 396230008 DOID:10223
Gastritis contraindication 4556007 DOID:4029
Severe chronic ulcerative colitis contraindication 14311001
Disorder of autonomic nervous system contraindication 15241006
Glaucoma contraindication 23986001 DOID:1686
Toxic megacolon contraindication 28536002 DOID:1770
Atony of colon contraindication 29479008
Hyperthyroidism contraindication 34486009 DOID:7998
Hypertensive disorder contraindication 38341003 DOID:10763
Hypovolemic shock contraindication 39419009
Gastrointestinal ulcer contraindication 40845000
Body fluid retention contraindication 43498006
Conduction disorder of the heart contraindication 44808001
Achalasia of esophagus contraindication 45564002 DOID:9164
Chronic heart failure contraindication 48447003
Disorder of cardiovascular system contraindication 49601007 DOID:1287
Vitamin K deficiency contraindication 52675005 DOID:11249
Nasal polyp contraindication 52756005
Paralytic ileus contraindication 55525008 DOID:8442
Anorexia nervosa contraindication 56882008 DOID:8689
Acute nephropathy contraindication 58574008
Hepatic failure contraindication 59927004
Blood coagulation disorder contraindication 64779008 DOID:1247
Diabetes mellitus contraindication 73211009 DOID:9351
Factor II deficiency contraindication 73975000
Gastrointestinal hemorrhage contraindication 74474003
Thrombotic thrombocytopenic purpura contraindication 78129009 DOID:10772
Hiatal hernia contraindication 84089009 DOID:12642
Kidney disease contraindication 90708001 DOID:2527
Thyrotoxicosis contraindication 90739004 DOID:7997
Hemophilia contraindication 90935002
Myasthenia gravis contraindication 91637004 DOID:437
Anemia due to enzyme deficiency contraindication 111577008
Deficiency of glucose-6-phosphate dehydrogenase contraindication 124134002 DOID:2862
Liver function tests abnormal contraindication 166603001
Gastroesophageal reflux disease contraindication 235595009 DOID:8534
Disease of liver contraindication 235856003 DOID:409
Bladder outflow obstruction contraindication 236645006
Pyloric obstruction contraindication 244815007 DOID:3122
Benign prostatic hyperplasia contraindication 266569009 DOID:2883
Anemia contraindication 271737000 DOID:2355
Pregnancy, function contraindication 289908002
Cardiovascular event risk contraindication 395112001
Breastfeeding (mother) contraindication 413712001
Disorder of coronary artery contraindication 414024009
Fever greater than 100.4 Fahrenheit contraindication 426000000
Severe dehydration contraindication 450316000

Acid dissociation constants calculated using MoKa v3.0.0

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Dissociation levelDissociation constantType (acidic/basic)
pKa1 3.76 acidic

Orange Book patent data (new drug applications)

None

Orange Book exclusivity data (new drug applications)

None

Bioactivity Summary:

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TargetClassPharosUniProtActionTypeActivity value
(-log[M])
Mechanism
action
Bioact sourceMoA source
D-amino-acid oxidase Enzyme Ki 5.70 CHEMBL
glycine Amino acid OTHER DRUG LABEL DRUG LABEL
Solute carrier family 22 member 20 Transporter Ki 4.86 CHEMBL

External reference:

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IDSource
4565 IUPHAR_LIGAND_ID
D00038 KEGG_DRUG
4017799 VUID
N0000146160 NUI
C0053225 UMLSCUI
CHEMBL541 ChEMBL_ID
8SKN0B0MIM UNII
DB03793 DRUGBANK_ID
D019817 MESH_DESCRIPTOR_UI
10005 MMSL
18989 RXNORM
4257 MMSL
d03058 MMSL
387350000 SNOMEDCT_US
63318000 SNOMEDCT_US
4017799 VANDF
N0000146160 NDFRT
N0000005803 NDFRT
004936 NDDF
002906 NDDF
002878 NDDF
003193 NDDF
243 PUBCHEM_CID
CHEBI:30746 CHEBI

Pharmaceutical products:

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ProductCategoryIngredientsNDCFormQuantityRoute MarketingLabel
Hyophen HUMAN PRESCRIPTION DRUG LABEL 5 0076-0901 TABLET 9 mg ORAL unapproved drug other 12 sections