기본 정보
- CAS
84625-59-2- 표준 SMILES
c1ccc(C(c2ccccc2)N2CCN(CCCC3(c4ccccc4)OCCO3)CC2)cc1- InChIKey
LRMJAFKKJLRDLE-UHFFFAOYSA-N- 분자식
- C29H34N2O2
- 평균 분자량
- 442.6 g/mol
- 단동위원소 질량
- 442.26202833
개요
Dotarizine is an N-alkylpiperazine in which the two amino hydrogens of piperazine have been replaced by diphenylmethyl and 3-(2-phenyl-1,3-dioxolan-2-yl)propyl groups. A calcium channel blocker and serotonin (5-HT2) receptor antagonist used in the treatment of migraine. It has a role as a vasodilator agent, a calcium channel blocker and a serotonergic antagonist. It is a dioxolane, a N-alkylpiperazine and a cyclic ketal.
이름 및 식별자
- 우선 이름
- Dotarizine
- IUPAC
- 1-benzhydryl-4-[3-(2-phenyl-1,3-dioxolan-2-yl)propyl]piperazine
- 현지명
- 도타리진
- 영어명
- DOTARIZINE
- 분자식
- C29H34N2O2
- 분자량
- 442.59
이름 및 동의어
DOTARIZINE84625-59-2DotarizinaDotarizinumDTXSID60233630IO7663S6D3CHEBI:1380331-(Diphenylmethyl)-4-(3-(2-phenyl-1,3-dioxolan-2-yl)propyl)piperazine1-(diphenylmethyl)-4-[3-(2-phenyl-1,3-dioxolan-2-yl)propyl]piperazineRefChem:1356891-(diphenylmethyl)-4-(3-(2-phenyl-1,3-dioxalen-2-yl)propyl)piperazineDTXCID90156121
이름 더 보기
도타리진Dotaricin1-(DIPHENYLMETHYL)-4-[3-(2-PHENYL-1,3-DIOXOLAN-2-YL)]PIPERAZINE1-(diphenylmethyl)-4-(3-(2-phenyl-1,3-dioxolan-2-yl)propyl)-piperazin1-(DIPHENYLMETHYL)-4-[3-(2-PHENYL-1,3-DIOXOLAN-2-YL)PROPYL]-PIPERAZINEPiperazine, 1-(diphenylmethyl)-4-[3-(2-phenyl-1,3-dioxolan-2-yl)propyl]-
Dotarizine [INN]1-benzhydryl-4-[3-(2-phenyl-1,3-dioxolan-2-yl)propyl]piperazineDotarizinum [Latin]Dotarizina [Spanish]UNII-IO7663S6D3FI-6026DOTARIZINE [MI]MLS006010920
데이터베이스 식별자
물성
구조 계산 물성
- XLogP
- 4.9
- 극성 표면적
- 24.9 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 4
- 회전 가능 결합 수
- 8
- 무거운 원자 수
- 33
- 형식 전하
- 0
- 복잡도
- 534
실험 및 물리화학적 성질
DrugsPharmaceuticals -> Listed in ZINC15
물리화학적 성질
- 녹는점
- 100 · 100-1010C
- 물리적 상태
- 흰색 내지 회백색 고체.
- 색상
- 백색 결정체
화학적 성질
White Crystalline Solid
화학 및 산업
약리 정보
MeSH Pharmacological Classification
A class of drugs that act by selective inhibition of calcium influx through cellular membranes.
Drugs that bind to but do not activate serotonin receptors, thereby blocking the actions of serotonin or SEROTONIN RECEPTOR AGONISTS.
Drugs used to cause dilation of the blood vessels.
공급사8 곳
Aladdin Scientific[email protected]
LGM Pharma1-(800)-881-8210 · [email protected]
凯试（上海）科技有限公司021-50135380 · [email protected]
上海一飞生物科技有限公司021-65675885 18964387627 · [email protected]
上海陶术生物科技股份有限公司13564774135 · [email protected]
深圳聚合生化科技有限公司+86-400-002-6226 13028896684 · [email protected]
TargetMol中国（陶术生物）4008200310 15002144251 · [email protected]
北京百灵威科技有限公司18210857532 18210857532 · [email protected]
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