기본 정보
- CAS
386750-22-7- 표준 SMILES
CN(C)CC(c1ccc(O)cc1)C1(O)CCCCC1.O.O=C(O)CCC(=O)O- InChIKey
PWPDEXVGKDEKTE-UHFFFAOYSA-N- 분자식
- C20H33NO7
- 평균 분자량
- 399.5 g/mol
- 단동위원소 질량
- 399.2257024
개요
Desvenlafaxine Succinate is the succinate salt form of desvenlafaxine, a synthetic phenethylamine bicyclic derivative with antidepressant activity. Desvenlafaxine is a selective reuptake inhibitor of serotonin and norepinephrine due to its high binding affinities to the pre-synaptic serotonin and norepinephrine transporters. By blocking both transporters, this agent prolongs neurotransmitter activities of both serotonin and norepinephrine, thereby alleviating depressive state.
이름 및 식별자
- 우선 이름
- Desvenlafaxine Succinate
- IUPAC
- butanedioic acid;4-[2-(dimethylamino)-1-(1-hydroxycyclohexyl)ethyl]phenol;hydrate
- 영어명
- Desvenlafaxine succinate Monohydrate
- 분자식
- C20H31NO6
- 분자량
- 381.47
이름 및 동의어
386750-22-7PristiqDesvenlafaxine succinate monohydrateDesvenlafaxine succinate hydrateDVS-233ZB22ENF0XRWy-45233Wy 45233DTXSID70959511O-DESMETHYL VENLAFAXINE SUCCINATEO-desmethylvenlafaxine Succinate MonohydrateButanedioic acid, compound with 4-(2-(dimethylamino)-1-(1-hydroxycyclohexyl)ethyl)phenol (1:1), monohydrate
이름 더 보기
Desvenlafaxine succinateO-Desmethylvenlafaxine succinate hydrateUnii-zb22enf0xrWY 45233 succinateDesvenla succinateNorvenlafaxine succinatePristiq succinate hydrateC16H25NO2.HOOCCH2CH2COOH.H2ODesvenlafaxine (succinate hydrate)
DESVENLAFAXINE ERPristiq Extended-releaseRefChem:57730Succinate, DesvenlafaxineO desmethylvenlafaxine SuccinateSuccinate, O-desmethylvenlafaxineDTXCID301436158WY45,233
데이터베이스 식별자
물성
구조 계산 물성
- 극성 표면적
- 119 Ų
- 수소 결합 공여자 수
- 5
- 수소 결합 수용자 수
- 8
- 회전 가능 결합 수
- 7
- 무거운 원자 수
- 28
- 형식 전하
- 0
- 복잡도
- 359
실험 및 물리화학적 성질
Human Drugs
FDA approved drugs -> Active ingredient
FDA approved drugs -> Active ingredient
물리화학적 성질
- 저장 조건
- 4 °C · Store at +4°C
- 용해도
- 3 · DMSO:3.0(Max Conc. mg/mL);7.51(Max Conc. mM)
- 물리적 상태
- 가루
- 색상
- White to off-white
- 안정성
- 흡습성
- 주요 응용
- 의약품(소분자)
- InChI
- InChI=1S/C16H25NO2.C4H6O4/c1-17(2)12-15(13-6-8-14(18)9-7-13)16(19)10-4-3-5-11-16;5-3(6)1-2-4(7)8/h6-9,15,18-19H,3-5,10-12H2,1-2H3;1-2H2,(H,5,6)(H,7,8)
- InChIKey
- ORUUBRMVQCKYHB-UHFFFAOYSA-N
- SMILES
- C(C(=O)O)CC(=O)O.C(C1C=CC(O)=CC=1)(C1(CCCCC1)O)CN(C)C
화학적 성질
Desvenlafaxine succinate (Pristiq SR) is an extended-release tablet for oral administration that contains desvenlafaxine succinate, a structurally novel SNRI for treating MDD. Desvenlafaxine succinate is a white to off-white powder that is soluble in water. The solubility of Desvenlafaxine succinate is pH-dependent. Its octanol: aqueous system (at pH 7.0) partition coefficient is 0.21. Desvenlafaxine succinate (Pristiq SR) is available as a 50 mg extended-release tablet for oral administration. The 50 mg tablet consists of light pink, square (pyramid, one-sided), film-coated tablets debossed “W” over “50” on the flat side.
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
Warning
H302 (84%): Harmful if swallowed [Warning Acute toxicity, oral]
P264, P264+P265, P270, P280, P301+P317, P305+P351+P338, P330, P337+P317, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 50 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
유해성 정보
Hazard Classes and CategoriesAcute Tox. 4 (84%)
독성 정보
Drug Induced Liver Injury
Drug Induced Liver Injury Rank (DILIrank 2.0)
Desvenlafaxine succinate
vLess-DILI-concern
3
Adverse reactions
DOI:10.1016/j.drudis.2016.02.015
안전 데이터
- wgk
- WGK 3
- HS 번호
- 2922504500
- Hazard Classifications
- Aquatic Chronic 3
- 스토리지 클래스
- 11 - Combustible Solids
화학 및 산업
약리 정보
FDA Pharmacological Classification
DESVENLAFAXINE ER
Cytochrome P450 2D6 Inhibitors [MoA]; Serotonin and Norepinephrine Reuptake Inhibitor [EPC]; Norepinephrine Uptake Inhibitors [MoA]; Serotonin Uptake Inhibitors [MoA]
DESVENLAFAXINE SUCCINATE
Cytochrome P450 2D6 Inhibitors [MoA]; Serotonin and Norepinephrine Reuptake Inhibitor [EPC]; Norepinephrine Uptake Inhibitors [MoA]; Serotonin Uptake Inhibitors [MoA]
MeSH Pharmacological Classification
Mood-stimulating drugs used primarily in the treatment of affective disorders and related conditions. Several MONOAMINE OXIDASE INHIBITORS are useful as antidepressants apparently as a long-term consequence of their modulation of catecholamine levels. The tricyclic compounds useful as antidepressive agents (ANTIDEPRESSIVE AGENTS, TRICYCLIC) also appear to act through brain catecholamine systems. A third group (ANTIDEPRESSIVE AGENTS, SECOND-GENERATION) is a diverse group of drugs including some that act specifically on serotonergic systems.
Drugs that selectively block or suppress the plasma membrane transport of SEROTONIN and NORADRENALINE into axon terminals and are used as ANTIDEPRESSIVE AGENTS.
응용 분야
개요Desvenlafaxine Succinate is a dual serotonin and norepinephrine reuptake inhibitor (SNRI) that was approved for the treatment of major depressive disorder (MDD) in the United States in 2008. In order to improve the efficacy and safety profile of venlafaxine, Wyeth discovered and developed one of the major metabolites of venlafaxine, namely the O-desmethyl metabolite (desvenlafaxine). Desvenlafaxine is also being developed for the treatment of moderate to severe vasomotor symptoms associated with menopause (i.e., hot flashes and night sweats) and is also in phase III clinical trials to study it’s effectiveness in treating fibromyalgia and neuropathic pain.
용도Antianxiety therapeutic
공급사100 곳
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