Palonosetron Deoxy Impurity

CAT: 1596-AR-P29662-01Size: 50 UnitsDry Ice: NoHazardous: No

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CAT#:1596-AR-P29662-01Size:50 Units

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CAS Number

1796933-62-4

API Name

Palonosetron

Chemical Information

Cannabinodivarin

CAS Number	1796933-62-4
PubChem CID	59444390
IUPAC Name	2-(5-methyl-2-prop-1-en-2-ylphenyl)-5-propylbenzene-1,3-diol
Molecular Formula	C19H22O2
Molecular Weight	282.4
XLogP	5.9
Topological Polar Surface Area	40.5
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	4
Heavy Atom Count	21
Formal Charge	0
Complexity	339

SMILES

CCCC1=CC(=C(C(=C1)O)C2=C(C=CC(=C2)C)C(=C)C)O

InChI

InChI=1S/C19H22O2/c1-5-6-14-10-17(20)19(18(21)11-14)16-9-13(4)7-8-15(16)12(2)3/h7-11,20-21H,2,5-6H2,1,3-4H3

InChIKey

COURSARJQZMTEZ-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1796933-62-4

CID: 59444390

Formula: C19H22O2

MW: 282.4

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	282.4
XLogP3	5.9
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	4
Exact Mass	282.161979940
Monoisotopic Mass	282.161979940
Topological Polar Surface Area	40.5 Å²
Heavy Atom Count	21
Formal Charge	0
Complexity	339
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
RM-P121401-01	Palonosetron Hydrochloride Impurity A
RM-P121857-01	Palonosetron Impurity 57
RM-P121811-01	Palonosetron Impurity 11
RM-P121813-01	Palonosetron Impurity 13
RM-P121804-01	Palonosetron Impurity 4
RM-P121841-01	Palonosetron Impurity 41
RM-P121847-01	Palonosetron Impurity 47
RM-P121849-01	Palonosetron Impurity 49
RM-P121850-01	Palonosetron Impurity 50
RM-P121806-01	Palonosetron Impurity 6