Y 25130

HCID 115000CAS 123040-16-4

部分構造検索類似構造を探す

基本情報

標準SMILES: CN1C(=O)COc2c(C(=O)NC3CN4CCC3CC4)cc(Cl)cc21.Cl
InChIKey: DBMKBKPJYAHLQP-UHFFFAOYSA-N
分子式: C17H21Cl2N3O3
平均分子量: 386.3 g/mol

概要

Azasetron hydrochloride is a benzoxazine.

名称と識別子

優先名称: Y 25130
IUPAC: N-(1-azabicyclo[2.2.2]octan-3-yl)-6-chloro-4-methyl-3-oxo-1,4-benzoxazine-8-carboxamide;hydrochloride

名称と別名

azasetron hydrochloride123040-16-4Azasetron HClSerotone2BSS7XL60SY 25130RefChem:934383692-159-3N-(1-Azabicyclo(2.2.2)oct-3-yl)-6-chloro-4-methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-8-carboxamide hydrochloride141922-90-9D-erythro-Sphingosine (Brain, Porcine)477243-03-1

名称をさらに表示

(+)-Azasetron hydrochloride123040-94-8123040-96-0AZASETRONHYDROCHLORIDEMFCD00209913Azasetron hydrochloride [JAN]123040-93-7Azasetron (hydrochloride)

データベース識別子

CAS: 123040-16-4
PubChem CID: 115000
DTXSID: DTXSID00924358
ChEMBL: CHEMBL4303332
ChEBI: CHEBI:31246
UNII: 2BSS7XL60S
EC Number: 692-159-3

物性

構造計算による物性

極性表面積: 61.9 Å²
水素結合供与体数: 2
水素結合受容体数: 4
回転可能結合数: 2
重原子数: 25
形式電荷: 0
複雑度: 523

安全と法規制

GHS分類

GHS Classification · 4 件

Warning

H361 (100%): Suspected of damaging fertility or the unborn child [Warning Reproductive toxicity]

P203, P280, P318, P405, and P501 (click each P-code to see the statement)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

危険有害性情報

Hazard Classes and CategoriesRepr. 2 (100%)

化学と産業

薬理情報

MeSH Pharmacological Classification · 2 件

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.