基本情報
- CAS
742-20-1- 標準SMILES
NS(=O)(=O)c1cc2c(cc1Cl)NC(CC1CCCC1)NS2(=O)=O- InChIKey
BKYKPTRYDKTTJY-UHFFFAOYSA-N- 分子式
- C13H18ClN3O4S2
- 平均分子量
- 379.9 g/mol
- 単同位体質量
- 379.0427261
概要
6-chloro-3-(cyclopentylmethyl)-1,1-dioxo-3,4-dihydro-2H-1$l^{6},2,4-benzothiadiazine-7-sulfonamide is a benzothiadiazine.
名称と識別子
- 優先名称
- Cyclopenthiazide
- IUPAC
- 6-chloro-3-(cyclopentylmethyl)-1,1-dioxo-3,4-dihydro-2H-1λ6,2,4-benzothiadiazine-7-sulfonamide
- 英語名
- (-)-Cyclopenthiazide
- 分子式
- C13H18ClN3O4S2
- 分子量
- 379.88
名称と別名
cyclopenthiazide742-20-1CyclomethiazideNavidrexCiclopentiazidaSu-8341CiclopentiazideCyclopenthiazidumDTXSID4022868NSC-1076792H-1,2,4-Benzothiadiazine-7-sulfonamide, 6-chloro-3-(cyclopentylmethyl)-3,4-dihydro-, 1,1-dioxideVX4S2N85F5
名称をさらに表示
NSC107679DTXCID8028686-chloro-3-(cyclopentylmethyl)-1,1-diketo-3,4-dihydro-2H-1$l^(6),2,4-benzothiadiazine-7-sulfonamide6-chloro-3-(cyclopentylmethyl)-1,1-diketo-3,4-dihydro-2H-1$l^{6},2,4-benzothiadiazine-7-sulfonamideRefChem:581072C03AA07212-012-5Cyclometiazid
データベース識別子
- CAS
742-20-1、96783-05-0、96783-06-1- PubChem CID
- 2904
- DTXSID
DTXSID4022868- ChEMBL
CHEMBL1373254- ChEBI
CHEBI:91686- UNII
- 866GEV195O、T7817XC41U、VX4S2N85F5
- EC Number
- 212-012-5
物性
構造計算による物性
- XLogP
- 1.3
- 極性表面積
- 135 Ų
- 水素結合供与体数
- 3
- 水素結合受容体数
- 7
- 回転可能結合数
- 3
- 重原子数
- 23
- 形式電荷
- 0
- 複雑度
- 637
実験および物理化学的性質
LogP1.27
物理化学的性質
- 沸点
- 605.6 · 605.6±65.0 °C(Predicted)
- 比重(密度)
- 1.471 · 1.471±0.06 g/cm3(Predicted)
- 酸解離定数(Pka)
- 9 · 9.00±0.40(Predicted)
安全と法規制
安全情報は参考情報です。供給元の安全データシート（SDS）、適用法令、専門家による評価に代わるものではありません。
GHS分類
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 2 reports by companies from 1 notifications to the ECHA C&L Inventory.
危険有害性情報
Regulatory InformationCyclopenthiazide: Does not have an individual approval but may be used under an appropriate group standard
Other Safety InformationIMAP assessments - 2H-1,2,4-Benzothiadiazine-7-sulfonamide, 6-chloro-3-(cyclopentylmethyl)-3,4-dihydro-, 1,1-dioxide: Environment tier I assessment
Hazard Classes and CategoriesAcute Tox. 4 (100%)
化学と産業
薬理情報
ATC Code
C - Cardiovascular system
QC - Cardiovascular system
MeSH Pharmacological Classification
Drugs used in the treatment of acute or chronic vascular HYPERTENSION regardless of pharmacological mechanism. Among the antihypertensive agents are DIURETICS; (especially DIURETICS, THIAZIDE); ADRENERGIC BETA-ANTAGONISTS; ADRENERGIC ALPHA-ANTAGONISTS; ANGIOTENSIN-CONVERTING ENZYME INHIBITORS; CALCIUM CHANNEL BLOCKERS; GANGLIONIC BLOCKERS; and VASODILATOR AGENTS.
Agents that promote the excretion of urine through their effects on kidney function.
Agents that inhibit SODIUM CHLORIDE SYMPORTERS. They act as DIURETICS. Excess use is associated with HYPOKALEMIA.
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