benzoin 🐶 Veterinary Use | 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

FDA Adverse Event Reporting System (Geriatric)

None

FDA Adverse Event Reporting System (Pediatric)

None

Pharmacologic Action:

SourceCodeDescription
CHEBI has role CHEBI:78444 Alpha-carboxylesterase inhibitor

Drug Use | Suggest Off label Use Form| |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




🐶 Veterinary Drug Use

None

🐶 Veterinary products

None

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
1406 RXNORM
4258 MMSL
4820 MMSL
001921 NDDF
391828004 SNOMEDCT_US
C0005070 UMLSCUI
D001573 MESH_DESCRIPTOR_UI
8400 PUBCHEM_CID
L7J6A1NE81 UNII

Pharmaceutical products:

None