Palonosetron Impurity 15

CAT: 1299-RM-P121815-01Size: 10 mgDry Ice: NoHazardous: No

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CAT#:1299-RM-P121815-01Size:10 mg

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CAS Number

2216746-63-1

Synonyms

(R) -N- (((R) -1,2,3,4-tetrahydronaphthalen-1-yl) methyl) quinuclidin-3-amine

Molecular Formula

C18H26N2

Molecular Weight

270.41

Target Alternative Name

Palonosetron

Product Name Synonym

(R) -N- (((R) -1,2,3,4-tetrahydronaphthalen-1-yl) methyl) quinuclidin-3-amine

Chemical Information

(R)-N-(((R)-1,2,3,4-Tetrahydronaphthalen-1-yl)methyl)quinuclidin-3-amine

CAS Number	2216746-63-1
PubChem CID	124556664
IUPAC Name	(3R)-N-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]methyl]-1-azabicyclo[2.2.2]octan-3-amine
Molecular Formula	C18H26N2
Molecular Weight	270.4
XLogP	3.1
Topological Polar Surface Area	15.3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	3
Heavy Atom Count	20
Formal Charge	0
Complexity	321

SMILES

C1C[C@H](C2=CC=CC=C2C1)CN[C@H]3CN4CCC3CC4

InChI

InChI=1S/C18H26N2/c1-2-7-17-14(4-1)5-3-6-16(17)12-19-18-13-20-10-8-15(18)9-11-20/h1-2,4,7,15-16,18-19H,3,5-6,8-13H2/t16-,18-/m0/s1

InChIKey

BCXAOEQLKWKVHU-WMZOPIPTSA-N

Chemical Structure

2D Structure

CAS: 2216746-63-1

CID: 124556664

Formula: C18H26N2

MW: 270.4

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	270.4
XLogP3	3.1
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	3
Exact Mass	270.209598838
Monoisotopic Mass	270.209598838
Topological Polar Surface Area	15.3 Å²
Heavy Atom Count	20
Formal Charge	0
Complexity	321
Isotope Atom Count	0
Defined Atom Stereocenter Count	2
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes