Dolasetron Impurity 3

CAT: 1596-AR-D07452-05Size: 150Dry Ice: NoHazardous: No

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CAT#:1596-AR-D07452-05Size:150

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CAS Number

115956-03-1

Molecular Formula

C15H23NO5

Molecular Weight

297.35

API Name

Dolasetron

Chemical Information

Ethyl 9-(2-ethoxy-2-oxoethyl)-7-oxo-9-azabicyclo[3.3.1]nonane-3-carboxylate

CAS Number	115956-03-1
PubChem CID	9948152
IUPAC Name	ethyl 9-(2-ethoxy-2-oxoethyl)-7-oxo-9-azabicyclo[3.3.1]nonane-3-carboxylate
Molecular Formula	C15H23NO5
Molecular Weight	297.35
XLogP	0.9
Topological Polar Surface Area	72.9
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	7
Heavy Atom Count	21
Formal Charge	0
Complexity	404

SMILES

CCOC(=O)CN1C2CC(CC1CC(=O)C2)C(=O)OCC

InChI

InChI=1S/C15H23NO5/c1-3-20-14(18)9-16-11-5-10(15(19)21-4-2)6-12(16)8-13(17)7-11/h10-12H,3-9H2,1-2H3

InChIKey

JCXUVTNCQZYKOG-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 115956-03-1

CID: 9948152

Formula: C15H23NO5

MW: 297.35

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	297.35
XLogP3	0.9
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	7
Exact Mass	297.15762283
Monoisotopic Mass	297.15762283
Topological Polar Surface Area	72.9 Å²
Heavy Atom Count	21
Formal Charge	0
Complexity	404
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	2
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
AR-D07451-01	Dolasetron Impurity 2
AR-D07450-01	Dolasetron Impurity 1
AR-D02110-01	Dolasetron
AR-D07454-01	Dolasetron Impurity 4-d4 (Indole-d4)
AR-D02114-01	Dolasetron isomer
AR-D07455-01	Dolasetron Impurity 5-d4 (Indole-3-Carboxylic Acid-d4)
AR-D02111-01	Dolasetron-d4
AR-D07456-01	Dolasetron-d4 (Indole-d4)
AR-N01599-01	Nintedanib Impurity 3 (Intedanib Impurity 3)
AR-L06889-01	Letermovir Impurity 3