Chemical Properties of Bisacodyl (CAS 603-50-9)

InChI

InChI=1S/C22H19NO4/c1-15(24)26-19-10-6-17(7-11-19)22(21-5-3-4-14-23-21)18-8-12-20(13-9-18)27-16(2)25/h3-14,22H,1-2H3

InChI Key

KHOITXIGCFIULA-UHFFFAOYSA-N

Formula

C22H19NO4

SMILES

CC(=O)Oc1ccc(C(c2ccc(OC(C)=O)cc2)c2ccccn2)cc1

Molecular Weight¹

361.39

CAS

603-50-9

Other Names

• (4,4'-Diacetoxydiphenyl)(2-pyridyl)methane
• 2-(4,4'-Diacetoxydiphenylmethyl)pyridine
• 4,4'-(2-Pyridylmethylene)diphenol diacetate (ester)
• 4,4'-(2-pyridylmethylene)bisphenol diacetate
• 4,4'-(2-pyridylmethylene)diphenol diacetate
• 4,4'-Diacetoxydiphenylpyrid-2-ylmethane
• 4,4'-Diacetoxydiphenylpyridyl-2-methane
• Bicol
• Brocalax
• Di-(4-acetoxyphenyl)-2-pyridylmethane
• Di-(p-acetoxyphenyl)-2-pyridylmethane
• Dulcolax
• Durolax
• Endokolat
• Eulaxan
• Godalax
• Hillcolax
• Ivilax
• LA96A
• LACO
• Laxanin N
• Neolax
• Phenol, 4,4'-(2-pyridinylmethylene)bis-, 1,1'-diacetate
• Phenol, 4,4'-(2-pyridinylmethylene)bis-, diacetate
• Phenol, 4,4'-(2-pyridylmethylene)di-, diacetate (ester)
• Pyrilax
• Sk-bisacodyl
• Stadalax
• Telemin
• Theralax
• bis(p-acetoxyphenyl)-2-pyridylmethane
• dulcolan
• fenilaxan
• laxadin
• laxans
• laxine
• laxorex
• nigalax
• perilax
• phenol, 4,4'-(2-pyridinylmethylene)bis-, diacetate (ester)
• phenol, 4,4'-(2-pyridylmethylene)di-, diacetate
• sanvacual
• zetrax

• 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.
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
log10WS	-5.65		Crippen Calculated Property
logPoct/wat	4.112		Crippen Calculated Property
McVol	274.420	ml/mol	McGowan Calculated Property
Inp	[2790.00; 2830.00]
Inp	2814.00		NIST
Inp	2820.00		NIST
Inp	2790.00		NIST
Inp	2830.00		NIST
Inp	2820.00		NIST
Tfus	407.00 ± 1.00	K	NIST

Similar Compounds

Find more compounds similar to Bisacodyl.

Mixtures

• Carbon dioxide + Bisacodyl

Sources

• Crippen Method
• Crippen Method
• Solubility of the Drugs Bisacodyl, Methimazole, Methylparaben, and Iodoquinol in Supercritical Carbon Dioxide
• McGowan Method
• NIST Webbook

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