Azasetron

HCID 2264CAS 123040-69-7
Substructure searchFind similar structures

Basic information

Standard SMILES
CN1C(=O)COc2c(C(=O)NC3CN4CCC3CC4)cc(Cl)cc21
InChIKey
WUKZPHOXUVCQOR-UHFFFAOYSA-N
Molecular formula
C17H20ClN3O3
Average molar mass
349.8 g/mol

Overview

N-(1-azabicyclo[2.2.2]octan-3-yl)-6-chloro-4-methyl-3-oxo-1,4-benzoxazine-8-carboxamide is a benzoxazine.

Names & identifiers

Preferred name
Azasetron
IUPAC
N-(1-azabicyclo[2.2.2]octan-3-yl)-6-chloro-4-methyl-3-oxo-1,4-benzoxazine-8-carboxamide
English name
Azasetron hydrochloride
Molecular formula
C17H20ClN3O3
Molecular weight
349.81

Names & synonyms

Azasetron123040-69-7DTXSID704565177HC7URR9ZDTXCID50256512H-1,4-Benzoxazine-8-carboxamide, N-1-azabicyclo(2.2.2)oct-3-yl-6-chloro-3,4-dihydro-4-methyl-3-oxo-, monohydrochlorideazasetronumN-(1-azabicyclo(2.2.2)octan-8-yl)-6-chloro-4-methyl-3-oxo-1,4-benzoxazine-8-carboxamideN-(1-azabicyclo[2.2.2]octan-8-yl)-6-chloro-4-methyl-3-oxo-1,4-benzoxazine-8-carboxamideRefChem:115971Nazasetron123039-99-6
Show more names
AZASETRON HCLAzasetron HCIAzasetron baseArazasetron HClAzasetron Impurity?2Y-25130 HYDROCHLORIDEAzastron hydrochlorideAzasetron hydrochloridAzasetron hydrochloride base
Azasetron [INN](R)-AzasetronN-(1-azabicyclo[2.2.2]octan-3-yl)-6-chloro-4-methyl-3-oxo-1,4-benzoxazine-8-carboxamideAzasetron (INN)NCGC00024563-02Y-25130CAS-123040-69-7seroton

Database identifiers

CAS
123040-69-7
PubChem CID
2264
ChEMBL
CHEMBL1598608
ChEBI
CHEBI:91712
UNII
77HC7URR9Z
Nikkaji
J391.611A

Properties

Computed structural properties

XLogP
1.6
Topological polar surface area
61.9 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
4
Rotatable bonds
2
Heavy atoms
24

Physicochemical properties

Melting point
301 · 301-303°C
Boiling point
558 · 558.0±50.0 °C(Predicted)
Density
1.42 · 1.42±0.1 g/cm3(Predicted)
storage temp.
-20 °C · -20°C Freezer
pka
13.31 · 13.31±0.20(Predicted)
CAS DataBase Reference
123040 · 123040-69-7(CAS DataBase Reference)

Chemistry & industry

Pharmacology

MeSH Pharmacological Classification · 2 items

Drugs used to prevent NAUSEA or VOMITING.

Drugs that bind to but do not activate serotonin receptors, thereby blocking the actions of serotonin or SEROTONIN RECEPTOR AGONISTS.

Applications

UsesAs a 5-HT3 receptor antagonist, Azasetron hydrochloride can be used as an antiemetic.

Upstream & downstream products

Suppliers50 total

北京华美互利生物化工010-56205725 · [email protected]
湖南韵邦生物科技股份有限公司85561037 15386497078 · [email protected]
济南百隆化学有限公司[email protected] · [email protected]
武汉敬康恩生物医药科技有限公司13720134139 086-15871494362 13720134139 · [email protected]
南京先景医药科技有限公司025-52760886 13073455575 · [email protected]

Additional notes

DefinitionChEBI: Azasetron hydrochloride is a benzoxazine.

Related reactions

2 records
New reaction record

Linked notes

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