Chemical Properties of Droperidol (CAS 548-73-2)

InChI

InChI=1S/C22H22FN3O2/c23-17-9-7-16(8-10-17)21(27)6-3-13-25-14-11-18(12-15-25)26-20-5-2-1-4-19(20)24-22(26)28/h1-2,4-5,7-11H,3,6,12-15H2,(H,24,28)

InChI Key

RMEDXOLNCUSCGS-UHFFFAOYSA-N

Formula

C22H22FN3O2

SMILES

O=C(CCCN1CC=C(n2c(=O)[nH]c3ccccc32)CC1)c1ccc(F)cc1

Molecular Weight¹

379.43

CAS

548-73-2

Other Names

• 2H-Benzimidazol-2-one, 1-[1-[4-(4-fluorophenyl)-4-oxobutyl]-1,2,3,6-tetrahydro-4-pyridinyl]-1,3-dihydro-
• 2-Benzimidazolinone, 1-[1-[3-(p-fluorobenzoyl)propyl]-1,2,3,6-tetrahydro-4-pyridyl]-
• Dehydrobenzperidol
• Dridol
• Droleptan
• Inapsin
• Inapsine
• Inopsin
• McN-JR 4749
• R 4749
• Sintodril
• Deidrobenzperidolo
• DHBP
• Halkan
• Inappin
• Innovan
• Inoval
• Properidol
• Sintosian
• Vetkalm
• 1-(1-(3-(p-Fluorobenzoyl)propyl)-1,2,3,6-tetrahydro-4-pyridyl)-2-benzimidazolinone
• 1-(1-(4-(p-Fluorophenyl)-4-oxobutyl)-1,2,3,6-tetrahydro-4-pyridyl)-2-benzimidazolinone
• NSC 169874
• Neurolidol

• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• I_np : Non-polar retention indices.
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
log10WS	-5.40		Crippen Calculated Property
logPoct/wat	3.197		Crippen Calculated Property
McVol	282.150	ml/mol	McGowan Calculated Property
Inp	[3376.00; 3430.00]
Inp	3402.00		NIST
Inp	3376.00		NIST
Inp	3430.00		NIST
Inp	3376.00		NIST
Inp	3402.00		NIST

Similar Compounds

Find more compounds similar to Droperidol.

Sources

• Crippen Method
• Crippen Method
• McGowan Method
• NIST Webbook

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