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

Stem definitionDrug idCAS RN
3092 57-15-8

Description:

MoleculeDescription

Molfile Inchi Smiles

Synonyms:

  • chlorobutanol
  • acetochlorone
  • acetonchloroform
  • acetone chloroform
  • chlorbutanol
  • chlorbutol
  • chloreton
  • chloretone
  • trichlorobutanol
A colorless to white crystalline compound with a camphoraceous odor and taste. It is a widely used preservative in various pharmaceutical solutions, especially injectables. Also, it is an active ingredient in certain oral sedatives and topical anesthetics.
  • Molecular weight: 177.45
  • Formula: C4H7Cl3O
  • CLOGP: 2.25
  • LIPINSKI: 0
  • HAC: 1
  • HDO: 1
  • TPSA: 20.23
  • ALOGS: -2.03
  • ROTB: 1

Drug dosage:

None

ADMET properties:

None

Approvals:

None

FDA Adverse Event Reporting System (Female)

None

FDA Adverse Event Reporting System (Male)

None

Pharmacologic Action:

SourceCodeDescription
ATC A04AD04 ALIMENTARY TRACT AND METABOLISM
ANTIEMETICS AND ANTINAUSEANTS
ANTIEMETICS AND ANTINAUSEANTS
Other antiemetics
ATC A04AD54 ALIMENTARY TRACT AND METABOLISM
ANTIEMETICS AND ANTINAUSEANTS
ANTIEMETICS AND ANTINAUSEANTS
Other antiemetics
MeSH PA D010592 Pharmaceutic Aids
MeSH PA D011310 Preservatives, Pharmaceutical

Drug Use (View source of the data)

None

Acid dissociation constants calculated using MoKa v3.0.0

Dissociation levelDissociation constantType (acidic/basic)
pKa1 13.69 acidic

Orange Book patent data (new drug applications)

None

Orange Book exclusivity data (new drug applications)

None

Bioactivity Summary:

None

External reference:

IDSource
4017487 VUID
N0000145875 NUI
D01942 KEGG_DRUG
4017487 VANDF
C0008232 UMLSCUI
CHEBI:134813 CHEBI
CHEMBL1439973 ChEMBL_ID
DB11386 DRUGBANK_ID
D002724 MESH_DESCRIPTOR_UI
5977 PUBCHEM_CID
440 INN_ID
HM4YQM8WRC UNII
2378 RXNORM
NOCODE MMSL
003205 NDDF
009289 NDDF
420493005 SNOMEDCT_US
9234005 SNOMEDCT_US

Pharmaceutical products:

None