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Desacetyl bisacodyl

CAT: 0931-T78380-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0931-T78380-01Size:5 mg
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CAS Number
603-41-8
Target
Others, Drug Metabolite
Related Pathways
Others, Metabolism
Bioactivity
Desacetyl bisacodyl, the active metabolite of the laxative bisacodyl, evokes epithelial Cl (-) secretion in the rat colon and rectum, in addition to increasing mucus and chloride secretion [1].
Smiles
Oc1ccc(cc1)C(c1ccc(O)cc1)c1ccccn1
Molecular Formula
C18H15NO2
Molecular Weight
277.32
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

4,4'-Dihydroxydiphenyl(2-pyridyl)methane

Deacetylbisacodyl is a Stimulant Laxative. The physiologic effect of deacetylbisacodyl is by means of Increased Large Intestinal Motility and Stimulation Large Intestine Fluid/Electrolyte Secretion.

CAS Number603-41-8
PubChem CID69046
IUPAC Name4-[(4-hydroxyphenyl)-pyridin-2-ylmethyl]phenol
Molecular FormulaC18H15NO2
Molecular Weight277.3
XLogP3.6
Topological Polar Surface Area53.4
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Heavy Atom Count21
Formal Charge0
Complexity284
SMILES
C1=CC=NC(=C1)C(C2=CC=C(C=C2)O)C3=CC=C(C=C3)O
InChI
InChI=1S/C18H15NO2/c20-15-8-4-13(5-9-15)18(17-3-1-2-12-19-17)14-6-10-16(21)11-7-14/h1-12,18,20-21H
InChIKey
LJROKJGQSPMTKB-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 4,4'-Dihydroxydiphenyl(2-pyridyl)methane
CAS: 603-41-8
CID: 69046
Formula: C18H15NO2
MW: 277.3
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight277.3
XLogP33.6
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Exact Mass277.110278721
Monoisotopic Mass277.110278721
Topological Polar Surface Area53.4 Ų
Heavy Atom Count21
Formal Charge0
Complexity284
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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Alternative Products

CatalogName
MBS6079662-01Desacetyl Bisacodyl
008243-01Desacetyl Bisacodyl (Bisacodyl Related Compound A)
HY-131637RDesacetyl bisacodyl (Standard)
GBA05047-01Desacetyl bisacodyl β-D-glucuronide
MBS6031477-01Desacetyl Bisacodyl beta-D-Glucuronide
1588131’-Desacetyl-3’-Acetyl Bisacodyl
TRC-D288650-100MGDesacetyl Bisacodyl b-D-Glucuronide
271516-01Desacetyl bisacodyl discontinued. See 008243
446193-01Desacetyl Bisacodyl β-D-Glucuronide Methyl Ester
MBS6098481-01Desacetyl Bisacodyl-d13 (Mixture of d12/d13)

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