기본 정보
- CAS
60560-33-0- 표준 SMILES
CC(N=C(NC#N)Nc1ccncc1)C(C)(C)C.O- InChIKey
AFJCNBBHEVLGCZ-UHFFFAOYSA-N- 분자식
- C13H21N5O
- 평균 분자량
- 263.34 g/mol
- 단동위원소 질량
- 263.17461031
개요
Pinacidil is an organic molecular entity.
이름 및 식별자
- 우선 이름
- Pinacidil
- IUPAC
- 1-cyano-2-(3,3-dimethylbutan-2-yl)-3-pyridin-4-ylguanidine;hydrate
- 영어명
- Pinacidil
- 분자식
- C13H19N5
- 분자량
- 245.32
이름 및 동의어
PINACIDIL MONOHYDRATE85371-64-8PindacPinacidil hydrateDTXSID40456827B0ZZH8P2WNSC-759588DTXCID2025682PinacidilumGUANIDINE, N-CYANO-N'-4-PYRIDINYL-N''-(1,2,2-TRIMETHYLPROPYL)-, HYDRATE (1:1)S-12301-cyano-3-(4-pyridyl)-2-(1,2,2-trimethylpropyl)guanidine;hydrate
이름 더 보기
p1134Picacidil(R,S)-PinacidilpinacidilmonohydratePinacidil, 10 mM in DMSO2-Cyano-3-(4-pyridyl)-1-(1,2,2-trimethylpropyl)guanidine1-cyano-2-(3,3-dimethylbutan-2-yl)-3-pyridin-4-ylguanidineN-CYANO-N'-4-PYRIDINYL-N''-(1,2,2-TRIMETHYLPROPYL)GUANIDINE
DTXSID7048249Anhydrous, Pinacidil2-Cyano-3-(4-pyridinyl)-1-(1,2,2-trimethylpropyl)guanidine3-cyano-2-(3,3-dimethylbutan-2-yl)-1-pyridin-4-ylguanidine(Z)-N'-cyano-N-(3,3-dimethylbutan-2-yl)-N''-(pyridin-4-yl)guanidineRefChem:56505DTXCID2028224C02DG01
데이터베이스 식별자
- CAS
60560-33-0、85371-64-8- PubChem CID
- 55329
- DTXSID
DTXSID4045682- ChEMBL
CHEMBL1200338- ChEBI
CHEBI:34923- UNII
- 7B0ZZH8P2W
- EC Number
- 262-294-9、622-053-4
물성
구조 계산 물성
- 극성 표면적
- 74.1 Ų
- 수소 결합 공여자 수
- 3
- 수소 결합 수용자 수
- 4
- 회전 가능 결합 수
- 5
- 무거운 원자 수
- 19
- 형식 전하
- 0
- 복잡도
- 327
실험 및 물리화학적 성질
Solubility>39.5 [ug/mL] (The mean of the results at pH 7.4)
Human Drugs
FDA approved drugs -> Active ingredient
FDA approved drugs -> Active ingredient
물리화학적 성질
- 녹는점
- 110 · 110-114℃
- 끓는 점
- 378.29 °C · 378.29°C (rough estimate)
- 밀도
- 1.1402 · 1.1402 (rough estimate)
- 굴절률
- 1.65 · 1.6500 (estimate)
- 저장 조건
- -20 °C · Store at -20°C
- 용해도
- 14 mg/mL · 에탄올: 14mg/mL
- 물리적 상태
- 고체
- 산도 계수 (pKa)
- 7.36 · 7.36±0.10(Predicted)
- 색상
- 하얀색
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]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 38 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
유해성 정보
Hazard Classes and CategoriesAcute Tox. 4 (100%)
독성 정보
Drug Induced Liver Injury
Drug-Induced Liver Injury Severity and Toxicity (DILIst)
pinacidil
DILI Negative
DOI:10.1016/j.drudis.2019.09.022
안전 데이터
- wgk
- 3
- risk_code
- 22-36/37/38
- hazard_code
- Xn
- safety_code
- 36
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.
Drugs used to cause dilation of the blood vessels.
Agents that affect ION PUMPS; ION CHANNELS; ABC TRANSPORTERS; and other MEMBRANE TRANSPORT PROTEINS.
응용 분야
용도Antihypertensive.
공급사19 곳
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
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湖北魏氏化学试剂股份有限公司17771898297 13125137661 · [email protected]
BOC Sciences1-631-485-4226; 16314854226 · [email protected]
湖北扬信医药科技有限公司0714-3999001 19171453112 · [email protected]
天津普西唐生物医药科技有限公司010-60605840 · [email protected]
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