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603-41-8

603-41-8 | p,p'-(2-pyridylmethylene)bisphenol

CAS No: 603-41-8 Catalog No: AG00ECZE MDL No:

Product Description

Catalog Number:
AG00ECZE
Chemical Name:
p,p'-(2-pyridylmethylene)bisphenol
CAS Number:
603-41-8
Molecular Formula:
C18H15NO2
Molecular Weight:
277.3172
IUPAC Name:
4-[(4-hydroxyphenyl)-pyridin-2-ylmethyl]phenol
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
InChI Key:
LJROKJGQSPMTKB-UHFFFAOYSA-N
SMILES:
Oc1ccc(cc1)C(c1ccccn1)c1ccc(cc1)O
EC Number:
210-039-7
UNII:
R09078E41Y

Properties

Complexity:
284  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
277.11g/mol
Formal Charge:
0
Heavy Atom Count:
21  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
277.323g/mol
Monoisotopic Mass:
277.11g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
53.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6  

Literature

Title Journal
Absence of excretion of the active moiety of bisacodyl and sodium picosulfate into human breast milk: an open-label, parallel-group, multiple-dose study in healthy lactating women. Drug metabolism and pharmacokinetics 20110101
The role of intestinal bacteria in the transformation of sodium picosulfate. Japanese journal of pharmacology 19920501

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