기본 정보
- CAS
742-20-1- 표준 SMILES
NS(=O)(=O)c1cc2c(cc1Cl)NC(CC1CCCC1)NS2(=O)=O- InChIKey
BKYKPTRYDKTTJY-UHFFFAOYSA-N- 분자식
- C13H18ClN3O4S2
- 평균 분자량
- 379.9 g/mol
- 단동위원소 질량
- 379.0427261
개요
6-chloro-3-(cyclopentylmethyl)-1,1-dioxo-3,4-dihydro-2H-1$l^{6},2,4-benzothiadiazine-7-sulfonamide is a benzothiadiazine.
이름 및 식별자
- 우선 이름
- Cyclopenthiazide
- IUPAC
- 6-chloro-3-(cyclopentylmethyl)-1,1-dioxo-3,4-dihydro-2H-1λ6,2,4-benzothiadiazine-7-sulfonamide
- 현지명
- (-)-시클로펜티아지드
- 영어명
- (-)-Cyclopenthiazide
- 분자식
- C13H18ClN3O4S2
- 분자량
- 379.88
이름 및 동의어
cyclopenthiazide742-20-1CyclomethiazideNavidrexCiclopentiazidaSu-8341CiclopentiazideCyclopenthiazidumDTXSID4022868NSC-1076792H-1,2,4-Benzothiadiazine-7-sulfonamide, 6-chloro-3-(cyclopentylmethyl)-3,4-dihydro-, 1,1-dioxideVX4S2N85F5
이름 더 보기
(-)-시클로펜티아지드
NSC107679DTXCID8028686-chloro-3-(cyclopentylmethyl)-1,1-diketo-3,4-dihydro-2H-1$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
데이터베이스 식별자
- 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
물성
구조 계산 물성
- XLogP
- 1.3
- 극성 표면적
- 135 Ų
- 수소 결합 공여자 수
- 3
- 수소 결합 수용자 수
- 7
- 회전 가능 결합 수
- 3
- 무거운 원자 수
- 23
- 형식 전하
- 0
- 복잡도
- 637
실험 및 물리화학적 성질
LogP1.27
물리화학적 성질
- 끓는 점
- 605.6 · 605.6±65.0 °C(Predicted)
- 밀도
- 1.471 · 1.471±0.06 g/cm3(Predicted)
- 산도 계수 (pKa)
- 9 · 9.00±0.40(Predicted)
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
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.
유해성 정보
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%)
화학 및 산업
약리 정보
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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