Bisacodyl EP Impurity B

CAT: 1596-AR-B01725-01Size: 10 UnitsDry Ice: NoHazardous: No

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CAT#:1596-AR-B01725-01Size:10 Units

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CAS Number

16985-05-0

Synonyms

2,4'- (2-Pyridinyl-2methylene) diphenol; 2-[ (4-Hydroxyphenyl) -2-pyridinylmethyl]phenol

Molecular Formula

C18H15NO2

Molecular Weight

277.32

API Name

Bisacodyl

Chemical Information

2,4'-(2-Pyridylmethylene)diphenol

CAS Number	16985-05-0
PubChem CID	71491790
IUPAC Name	2-[(4-hydroxyphenyl)-pyridin-2-ylmethyl]phenol
Molecular Formula	C18H15NO2
Molecular Weight	277.3
XLogP	3.6
Topological Polar Surface Area	53.4
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	3
Heavy Atom Count	21
Formal Charge	0
Complexity	314

SMILES

C1=CC=C(C(=C1)C(C2=CC=C(C=C2)O)C3=CC=CC=N3)O

InChI

InChI=1S/C18H15NO2/c20-14-10-8-13(9-11-14)18(16-6-3-4-12-19-16)15-5-1-2-7-17(15)21/h1-12,18,20-21H

InChIKey

IUAQDGAFHHTBPU-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 16985-05-0

CID: 71491790

Formula: C18H15NO2

MW: 277.3

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	277.3
XLogP3	3.6
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	3
Exact Mass	277.110278721
Monoisotopic Mass	277.110278721
Topological Polar Surface Area	53.4 Å²
Heavy Atom Count	21
Formal Charge	0
Complexity	314
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
AR-P01859-01	Bisacodyl EP Impurity A
AR-B01722-01	Bisacodyl EP Impurity A
AR-B01726-01	Bisacodyl EP Impurity C
AR-B07362-01	Bisacodyl EP Impurity A-d8
AR-B01723-01	Bisacodyl EP Impurity A-d8
AR-B01727-01	Bisacodyl EP Impurity E
AR-N08134-01	Naloxone EP Impurity A (Naltrexone EP Impurity B)
AR-P02106-01	Povidone EP Impurity B (Piracetam EP Impurity A)
AR-T01738-01	Epirubicin EP Impurity B (Daunorubicin EP Impurity A)
AR-C02165-01	Ceftriaxone EP Impurity B (Cefotaxime EP Impurity E)

Catalog	Name
RM-B090106-01	Bisacodyl Impurity 6
RM-B090107-01	Bisacodyl Impurity 7
RM-B090108-01	Bisacodyl Impurity 8
RM-B090102-01	Bisacodyl EP Impurity B
RM-B090105-01	Bisacodyl EP Impurity E
RM-B090103-01	Bisacodyl EP Impurity C
RM-B090101-01	Bisacodyl EP Impurity A; Sodium Picosulfate EP Impurity B
B1898-5.1	Bisacodyl