기본 정보
- CAS
131-01-1- 표준 SMILES
COC(=O)[C@H]1[C@H]2C[C@@H]3c4[nH]c5ccccc5c4CCN3C[C@H]2C[C@@H](OC(=O)c2cc(OC)c(OC)c(OC)c2)[C@@H]1OC- InChIKey
CVBMAZKKCSYWQR-WCGOZPBSSA-N- 분자식
- C32H38N2O8
- 평균 분자량
- 578.7 g/mol
- 단동위원소 질량
- 578.26281617
개요
Deserpidine is a methyl ester, a yohimban alkaloid, a benzoate ester, an organic heteropentacyclic compound and an alkaloid ester. It derives from a hydride of a yohimban.
이름 및 식별자
- 우선 이름
- Deserpidine
- IUPAC
- methyl (1R,15S,17R,18R,19S,20S)-18-methoxy-17-(3,4,5-trimethoxybenzoyl)oxy-1,3,11,12,14,15,16,17,18,19,20,21-dodecahydroyohimban-19-carboxylate
- 영어명
- Deserpidine
- 분자식
- C32H38N2O8
- 분자량
- 578.65
이름 및 동의어
DESERPIDINE131-01-1HarmonylRaunormineRecanescineRecanescinCanescine11-Demethoxyreserpine11-DesmethoxyreserpineDeserpidinaDeserpidinumHalmonyl
이름 더 보기
ReserpidineDi She PingDeserpidine (7CI)Reserpine Impurity 3Deserpidine USP/EP/BP
Deserpidine, (-)-DTXSID8020383methyl (1R,15S,17R,18R,19S,20S)-18-methoxy-17-(3,4,5-trimethoxybenzoyl)oxy-1,3,11,12,14,15,16,17,18,19,20,21-dodecahydroyohimban-19-carboxylateNSC-72138CHEBI:274789016E3VB47DTXCID80383(3beta,16beta,17alpha,18beta,20alpha)-17-methoxy-18-[(3,4,5-trimethoxybenzoyl)oxy]yohimban-16-carboxylic acid methyl ester
데이터베이스 식별자
- CAS
131-01-1- PubChem CID
- 8550
- DTXSID
DTXSID8020383- ChEMBL
CHEMBL1200515- ChEBI
CHEBI:27478- UNII
- 9016E3VB47
- EC Number
- 205-004-8
- Nikkaji
- J10.010B
물성
구조 계산 물성
- XLogP
- 4.1
- 극성 표면적
- 109 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 9
- 회전 가능 결합 수
- 9
- 무거운 원자 수
- 42
- 형식 전하
- 0
- 복잡도
- 953
실험 및 물리화학적 성질
DrugsPharmaceuticals -> Listed in ZINC15
LogP3.3
Solubility1.11e-02 g/L
Human Drugs
FDA approved drugs -> Active ingredient
FDA approved drugs -> Active ingredient
Endocrine DisruptorsPotential endocrine disrupting compound
Melting Point
228-232
230.5 °C
Physical DescriptionSolid
물리화학적 성질
- 녹는점
- 228 · 228-232°; mp 230-232°; mp 138° and 226-232° with resolidification at 175°
- 끓는 점
- 638.28 °C · 638.28°C (rough estimate)
- 밀도
- 1.2277 · 1.2277 (rough estimate)
- 굴절률
- 1.626 · 1.6260 (estimate)
- 저장 조건
- -20 °C · -20°C Freezer
- 용해도
- 클로로포름(약간 용해됨), 메탄올(약간 용해됨)
화학 및 산업
약리 정보
ATC Code
C - Cardiovascular system
QC - Cardiovascular system
Pharmacodynamics
Deserpidine, an alkaloid of <i>Rauwolfia canescens</i>, is used as an antihypertensive. Rauwolfia alkaloids work by controlling nerve impulses along certain nerve pathways. As a result, they act on the heart and blood vessels to lower blood pressure.
Mechanism of Action
Deserpidine's mechanism of action is through inhibition of the ATP/Mg<sup>2+</sup> pump responsible for the sequestering of neurotransmitters into storage vesicles located in the presynaptic neuron. The neurotransmitters that are not sequestered in the storage vesicle are readily metabolized by monoamine oxidase (MAO) causing a reduction in catecholamines.
FDA Pharmacological Classification
9016E3VB47
DESERPIDINE
Established Pharmacologic Class [EPC] - Catecholamine-depleting Sympatholytic
Physiologic Effects [PE] - Decreased Sympathetic Activity
Deserpidine is a Catecholamine-depleting Sympatholytic. The physiologic effect of deserpidine is by means of Decreased Sympathetic Activity.
Cellular LocationsCytoplasm
응용 분야
용도Deserpidine is found and extracted fromthe roots of Rauwolfia canescens L., andApocyanaceae. Therapeutically, it is used asan antihypertensive agent.
상·하류 제품 정보
상류 원료
공급사72 곳
Career Henan Chemica Co
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