Ondansetron Related Compound A (3[(Dimethylamino)methyl]-1,2,3,9-tetrahydro-9-methyl-4H-carbazol-4-one hydrochloride)

3-[(Dimethylamino)methyl]-1,2,3,9-tetrahydro-9-methyl-4H-carbazol-4-one hydrochloride

HCID 21976925

ノート反応

部分構造検索類似構造を探す

基本情報

CAS: 119812-29-2
標準SMILES: CN(C)CC1CCc2c(c3ccccc3n2C)C1=O.Cl
InChIKey: GFQLILQFQHMEPF-UHFFFAOYSA-N
分子式: C16H21ClN2O
平均分子量: 292.8 g/mol
単同位体質量: 292.13424097

名称と識別子

優先名称: 3-[(Dimethylamino)methyl]-1,2,3,9-tetrahydro-9-methyl-4H-carbazol-4-one hydrochloride
IUPAC: 3-[(dimethylamino)methyl]-9-methyl-2,3-dihydro-1H-carbazol-4-one;hydrochloride
現地名: Ondansetron Related Compound A (3[(Dimethylamino)methyl]-1,2,3,9-tetrahydro-9-methyl-4H-carbazol-4-one hydrochloride)
英語名: 3-[(Dimethylamino)methyl]-1,2,3,9-tetrahydro-9-methyl-4H-carbazol-4-one hydrochloride
分子式: C16H21ClN2O
分子量: 292.81

名称と別名

3-[(Dimethylamino)methyl]-1,2,3,9-tetrahydro-9-methyl-4H-carbazol-4-one hydrochloride4H-Carbazol-4-one, 3-[(dimethylamino)methyl]-1,2,3,9-tetrahydro-9-methyl-, hydrochloride (1:1)EC 601-635-13-((Dimethylamino)methyl)-1,2,3,9-tetrahydro-9-methyl-4H-carbazol-4-one hydrochloride4H-Carbazol-4-one, 3-((dimethylamino)methyl)-1,2,3,9-tetrahydro-9-methyl-, hydrochloride (1:1)RefChem:488801601-635-1658-038-4119812-29-23-((Dimethylamino)methyl)-9-methyl-2,3-dihydro-1H-carbazol-4(9H)-one hydrochlorideMFCD008002313-[(dimethylamino)methyl]-9-methyl-2,3-dihydro-1H-carbazol-4-one;hydrochloride

名称をさらに表示

Ondansetron Related Compound A (3[(Dimethylamino)methyl]-1,2,3,9-tetrahydro-9-methyl-4H-carbazol-4-one hydrochloride)Fenazaquin Impurity 8Ondansetron Related CoMpound AOndansetron impurity A (PhEur)Ondansetron Related Compound A (USP)Ondansetron Impurity 1 HydrochlorideOndansetron Impurity A(Hydrochloride)Ondansetron Related Compound A (50 mg)Ondansetron EP Impurity A HCl(USP RC A)Ondansetron HCl EP IMpurity-A (USP RC A)Ondansetron Related Compound A as Hydrochloride

3-((Dimethylamino)methyl)-9-methyl-1,2,3,9-tetrahydro-4H-carbazol-4-one hydrochloride3-[(Dimethylamino)methyl]-1,2,3,9-tetrahydro-9-methyl-4H-carbazole-4-one hydrochloride3-[(dimethylamino)methyl]-9-methyl-2,3-dihydro-1H-carbazol-4-one hydrochloride3-[(dimethylamino)methyl]-1,2,3,9-tetrahydro-9-methyl-4h-carbazole-4-one(3RS)-3-(Dimethylamino)methyl-9-methyl-1,2,3,9-tetrahydro-4H-carbazol-4-one Hydrochloride3-[(dimethylamino)methyl]-1,2,3,9-tetrahydro-9-methyl-4H-carbazol-4-oneSCHEMBL5202651DTXSID40621031

データベース識別子

CAS: 119812-29-2
PubChem CID: 21976925
DTXSID: DTXSID40621031
EC Number: 601-635-1、658-038-4

物性

構造計算による物性

極性表面積: 25.2 Å²
水素結合供与体数: 1
水素結合受容体数: 2
回転可能結合数: 2
重原子数: 20
形式電荷: 0
複雑度: 355

物理化学的性質

貯蔵温度: 2 · 2-8°C
溶解性: Methanol (Slightly), Water (Slightly)
外見: solid
BRN: 11612579 · 11612579
主な用途: 医薬品（低分子化合物）
InChI: 1S/C16H20N2O.ClH/c1-17(2)10-11-8-9-14-15(16(11)19)12-6-4-5-7-13(12)18(14)3;/h4-7,11H,8-10H2,1-3H3;1H
InChIKey: GFQLILQFQHMEPF-UHFFFAOYSA-N
SMILES: Cl.CN(C)CC1CCc2c(C1=O)c3ccccc3n2C

安全と法規制

GHS分類

GHS Classification · 6 件

This chemical does not meet GHS hazard criteria for 4.8% (2 of 42) of reports.

Danger

H290 (92.9%): May be corrosive to metals [Warning Corrosive to Metals]

P234, P264, P270, P301+P316, P321, P330, P390, P405, P406, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 42 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Warning

危険有害性情報

Regulatory InformationStatus: Active Update: 15-02-2013 https://echa.europa.eu/registration-dossier/-/registered-dossier/7729

Hazard Classes and Categories · 2 件

Met. Corr. 1 (92.9%)

Acute Tox. 4 (100%)

安全データ

wgk: 3
ridadr: UN 2923 6.1(8) / PGIII
hs_code: 2933997500
risk_code: 25
hazard_code: T
safety_code: 45
Hazard Classifications: Acute Tox. 3 OralMet. Corr. 1
ストレージクラス: 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects