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

Stem definitionDrug idCAS RN
4663 119-53-9

Description:

MoleculeDescription

Molfile Inchi Smiles

Synonyms:

  • benzoin
  • (RS)-Benzoin
  • benzoylphenylcarbinol
  • desyl alcohol
A white crystalline compound prepared by condensation of benzaldehyde in potassium cyanide and used in organic syntheses. This should not be confused with benzoin gum from STYRAX.
  • Molecular weight: 212.25
  • Formula: C14H12O2
  • CLOGP: 2.38
  • LIPINSKI: 0
  • HAC: 2
  • HDO: 1
  • TPSA: 37.30
  • ALOGS: -2.58
  • ROTB: 3

Drug dosage:

None

ADMET properties:

None

Approvals:

DateAgencyCompanyOrphan
None FDA

FDA Adverse Event Reporting System (Female)

None

FDA Adverse Event Reporting System (Male)

None

Pharmacologic Action:

SourceCodeDescription
CHEBI has role CHEBI:78444 carboxylic esterase inhibitors

Drug Use (View source of the data)

DiseaseRelationSNOMED_IDDOID
Laryngeal papillomatosis indication 232457008
Condyloma acuminatum indication 240542006 DOID:11168
Disorder of keratinization indication 277905003
Superficial Benign Epitheliomatosis indication

Acid dissociation constants calculated using MoKa v3.0.0

Dissociation levelDissociation constantType (acidic/basic)
pKa1 13.6 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
Liver carboxylesterase 1 Enzyme Ki 5.14 CHEMBL
Cocaine esterase Enzyme Ki 5.65 CHEMBL

External reference:

IDSource
D03091 KEGG_DRUG
4019093 VUID
N0000147353 NUI
4019093 VANDF
CHEBI:17682 CHEBI
CHEMBL190677 ChEMBL_ID
DB14020 DRUGBANK_ID
8400 PUBCHEM_CID
L7J6A1NE81 UNII
1406 RXNORM
4258 MMSL
4820 MMSL
001921 NDDF
391828004 SNOMEDCT_US
D001573 MESH_DESCRIPTOR_UI
C0005070 UMLSCUI

Pharmaceutical products:

None