Azasetron HCl 5mg

CAT: 0628-A16417-5Size: 5 mgDry Ice: NoHazardous: No

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CAT#:0628-A16417-5Size:5 mg

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24/48H Stock Items & 2 to 6 Weeks non Stock Items.

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CAS Number

123040-16-4

Chemical Information

Y 25130

Azasetron hydrochloride is a benzoxazine.

CAS Number	123040-16-4
PubChem CID	115000
IUPAC Name	N-(1-azabicyclo[2.2.2]octan-3-yl)-6-chloro-4-methyl-3-oxo-1,4-benzoxazine-8-carboxamide;hydrochloride
Molecular Formula	C17H21Cl2N3O3
Molecular Weight	386.3
Topological Polar Surface Area	61.9
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	2
Heavy Atom Count	25
Formal Charge	0
Complexity	523

SMILES

CN1C(=O)COC2=C(C=C(C=C21)Cl)C(=O)NC3CN4CCC3CC4.Cl

InChI

InChI=1S/C17H20ClN3O3.ClH/c1-20-14-7-11(18)6-12(16(14)24-9-15(20)22)17(23)19-13-8-21-4-2-10(13)3-5-21;/h6-7,10,13H,2-5,8-9H2,1H3,(H,19,23);1H

InChIKey

DBMKBKPJYAHLQP-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 123040-16-4

CID: 115000

Formula: C17H21Cl2N3O3

MW: 386.3

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	386.3
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	2
Exact Mass	385.0959969
Monoisotopic Mass	385.0959969
Topological Polar Surface Area	61.9 Å²
Heavy Atom Count	25
Formal Charge	0
Complexity	523
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	2
Compound Is Canonicalized	Yes