Palonosetron Impurity 41

CAT: 1299-RM-P121841-01Size: 10 mgDry Ice: NoHazardous: No

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CAT#:1299-RM-P121841-01Size:10 mg

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CAS Number

98841-72-6

Synonyms

1,2,3,4-tetrahydronaphthalene-1-carboxamide

Molecular Formula

C11H13NO

Molecular Weight

175.23

Target Alternative Name

Palonosetron

Product Name Synonym

1,2,3,4-tetrahydronaphthalene-1-carboxamide

Chemical Information

1,2,3,4-Tetrahydro-1-naphthalenecarboxamide

CAS Number	98841-72-6
PubChem CID	272042
IUPAC Name	1,2,3,4-tetrahydronaphthalene-1-carboxamide
Molecular Formula	C11H13NO
Molecular Weight	175.23
XLogP	1.7
Topological Polar Surface Area	43.1
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	1
Heavy Atom Count	13
Formal Charge	0
Complexity	202

SMILES

C1CC(C2=CC=CC=C2C1)C(=O)N

InChI

InChI=1S/C11H13NO/c12-11(13)10-7-3-5-8-4-1-2-6-9(8)10/h1-2,4,6,10H,3,5,7H2,(H2,12,13)

InChIKey

YABTYLPBLUXORV-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 98841-72-6

CID: 272042

Formula: C11H13NO

MW: 175.23

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	175.23
XLogP3	1.7
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	1
Exact Mass	175.099714038
Monoisotopic Mass	175.099714038
Topological Polar Surface Area	43.1 Å²
Heavy Atom Count	13
Formal Charge	0
Complexity	202
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
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-P121847-01	Palonosetron Impurity 47
RM-P121849-01	Palonosetron Impurity 49
RM-P121850-01	Palonosetron Impurity 50
RM-P121806-01	Palonosetron Impurity 6
RM-P121818-01	Palonosetron Impurity 18