CAS 753475-15-9 6-Piperazin-1-ylbenzo[b][1,4]benzothiazepine;hydrochloride (HCID 16202391)

基本情報

CAS: 753475-15-9
標準SMILES: Cl.c1ccc2c(c1)N=C(N1CCNCC1)c1ccccc1S2
InChIKey: MJPARFLICDXWJT-UHFFFAOYSA-N
分子式: C17H18ClN3S
平均分子量: 331.9 g/mol

名称と識別子

優先名称: 6-Piperazin-1-ylbenzo[b][1,4]benzothiazepine;hydrochloride
IUPAC: 6-piperazin-1-ylbenzo[b][1,4]benzothiazepine;hydrochloride
英語名: 11-(1-PIPERAZINYL)-DIBENZO[B,F][1,4]THIAZEPIN HYDROCHLORIDE
分子式: C17H18ClN3S
分子量: 0

名称と別名

753475-15-96-piperazin-1-ylbenzo[b][1,4]benzothiazepine;hydrochlorideN-Des[2-(2-hydroxyethoxy)ethyl] Quetiapine Dihydrochloride (1.0 mg/mL in Methanol)SCHEMBL1943859MJPARFLICDXWJT-UHFFFAOYSA-N11-(1-piperazinyl)-dibenzo[b,f][1,4]thiazepin HydrochlorideIN181068NS0007808111-piperazinyl dibenzo[b,f][1,4]thiazepinehydrochloride11-piperazin-1-yldibenzo[b,f][1,4]thiazepine hydrochloride11-piperazinyl-dibenzo[b,f][1,4]thiazepine hydrochloride11-(1-Piperazinyl)dibenzo[b,f][1,4]thiazepine hydrochloride

名称をさらに表示

Norquetiapine hydrochlorideNorquetiapine hydrochloride solution11-Piperazinodibenzo[B,F][1,4]Thiazepine Hydrochloride11-Piperazinyl Dibenzo [b, f] [1, 4] Thiazepine. HydrochlorideQuetiapine Impurity 28 Hydrochloride（Quetiapine EP Impurity B Hydrochloride )10-(piperazin-1-yl)-2-thia-9-azatricyclo[9.4.0.03,?]pentadeca-1(15),3,5,7,9,11,13-heptaene hydrochloride

11-(Piperazin-1-yl)dibenzo[b,f][1,4]thiazepine hydrochloride11-(Piperazin-1-yl)dibenzo[b,f][1,4]thiazepinehydrochloride11-Piperazinyl-dibenzo[b,f][1,4]thiazepine hydrochloride saltDibenzo[b,f][1,4]thiazepine, 11-(1-piperazinyl)-, hydrochloride (1:1)Norquetiapine hydrochloride, 1.0 mg/mL in methanol (as free base), ampule of 1 mL, certified reference material

データベース識別子

CAS: 753475-15-9
PubChem CID: 16202391
EC Number: 616-214-8

物性

構造計算による物性

極性表面積: 52.9 Å²
水素結合供与体数: 2
水素結合受容体数: 3
回転可能結合数: 1
重原子数: 22
形式電荷: 0
複雑度: 391

物理化学的性質

闪点: 9 ℃ · 9℃
貯蔵温度: -20 °C · -20°C
外見: liquid
主な用途: 臨床検査
InChI: 1S/C17H17N3S.ClH/c1-3-7-15-13(5-1)17(20-11-9-18-10-12-20)19-14-6-2-4-8-16(14)21-15;/h1-8,18H,9-12H2;1H
InChIKey: MJPARFLICDXWJT-UHFFFAOYSA-N
SMILES: [H]Cl.C12=CC=CC=C1N=C(N3CCNCC3)C4=C(C=CC=C4)S2

安全と法規制

安全データ

wgk: 1
ridadr: UN1230 - class 3 - PG 2 - Methanol, solution
risk_code: 11-23/24/25-39/23/24/25
hazard_code: F,T
safety_code: 7-16-36/37-45
Hazard Classifications: Acute Tox. 3 DermalAcute Tox. 3 InhalationAcute Tox. 3 OralFlam. Liq. 2STOT SE 1
ストレージクラス: 3 - Flammable liquids

化学と産業

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化合物ノート

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