기본 정보
- CAS
110429-35-1- 표준 SMILES
Cl.Cl.Fc1ccc([C@@H]2CCNC[C@H]2COc2ccc3c(c2)OCO3)cc1.Fc1ccc([C@@H]2CCNC[C@H]2COc2ccc3c(c2)OCO3)cc1.O- InChIKey
MQZOATSIFWSKKT-OASXIEIISA-N- 분자식
- C38H44Cl2F2N2O7
- 평균 분자량
- 749.7 g/mol
- 단동위원소 질량
- 748.2493635
개요
See also: Paroxetine Hydrochloride (related); Paroxetine (annotation moved to); Paroxetine Mesylate (annotation moved to).
이름 및 식별자
- 우선 이름
- Paroxetine Hydrochloride Hemihydrate
- IUPAC
- bis((3S,4R)-3-(1,3-benzodioxol-5-yloxymethyl)-4-(4-fluorophenyl)piperidine);hydrate;dihydrochloride
- 영어명
- PAROXETINE-D4 HCL
- 분자식
- C19H23ClFNO4
- 분자량
- 383.84
이름 및 동의어
Paroxetine hydrochloride hemihydrate110429-35-1Paroxetine hydrochloride hydrateDTXSID101017095Aeopax(3s-trans)-3-((1,3-benzodioxol-5-yloxy)methyl)-4-(4-fluorophenyl)piperidine hydrochloride HemihydrateRefChem:858693DTXCID701476223Paroxetine Hydrochloride, Hemihydrate(3S,4R)-3-((1,3-Benzodioxol-5-yloxy)methyl)-4-(4-fluorophenyl)piperidine monohydrochloride hemihydratePaxil(3S,4R)-3-((Benzo[d][1,3]dioxol-5-yloxy)methyl)-4-(4-fluorophenyl)piperidine hydrochloride hemihydrate
이름 더 보기
Paroxetine-D4 hydrochloridePiperidine, 3-[(1,3-benzodioxol-5-yloxy)methyl]-4-(4-fluorophenyl)-, hydrochloride, hydrate (2:1), (3S-trans)-PAROXETINE-D4 HCLBRL29060A hemihydratePAROXETINE-D4 HCL USP/EP/BPPAROXETINE HYDROCHLORIDE 1/2H2OParoxetine hydrochloride 98~102%
Paroxetine HCl hydrateSeroxatMFCD23843784(3S,4R)-3-(1,3-benzodioxol-5-yloxymethyl)-4-(4-fluorophenyl)piperidine;hydrate;dihydrochloridePAROXETINE HCL HEMIHYDRATEParoxetine.HCl.hemihydrate(3S,4R)-3-(1,3-benzodioxol-5-yloxymethyl)-4-(4-fluorophenyl)piperidin-1-ium;chlorideC38H44Cl2F2N2O7
물성
구조 계산 물성
- 극성 표면적
- 80.4 Ų
- 수소 결합 공여자 수
- 5
- 수소 결합 수용자 수
- 11
- 회전 가능 결합 수
- 8
- 무거운 원자 수
- 51
- 형식 전하
- 0
- 복잡도
- 402
물리화학적 성질
- 녹는점
- 121 · 121-131 C
- 저장 조건
- 2 · under inert gas (nitrogen or Argon) at 2-8°C
- 용해도
- 물에 약간 용해되고, 메탄올에 쉽게 용해되며, 에탄올(96%) 및 염화메틸렌에 조금 용해됩니다.
- 물리적 상태
- 가루
- 색상
- 하얀색
- Merck
- 14 · 14,7043
- InChI
- InChI=1/C19H20FNO3.ClH.H2O/c20-15-3-1-13(2-4-15)17-7-8-21-10-14(17)11-22-16-5-6-18-19(9-16)24-12-23-18;;/h1-6,9,14,17,21H,7-8,10-12H2;1H;1H2/t14-,17-;;/s3
- InChIKey
- QRQSGFFISBKLMZ-BGBHMREKNA-N
- SMILES
- C([C@@H]1CNCC[C@H]1C1C=CC(F)=CC=1)OC1C=CC2OCOC=2C=1.Cl.O |&1:1,6,r|
화학적 성질
White or almost white, crystalline powder.
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
Warning
H302 (98.1%): Harmful if swallowed [Warning Acute toxicity, oral]
P203, P261, P264, P264+P265, P270, P271, P273, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P318, P319, P321, P330, P332+P317, P337+P317, P362+P364, P391, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 53 reports by companies from 11 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
유해성 정보
Hazard Classes and CategoriesAcute Tox. 4 (98.1%)
안전 데이터
- wgk
- 3
- rtecs
- TM4569320
- ridadr
- UN 3077 9 / PGIII
- HS 번호
- 29349990
- risk_code
- 11-34-36/37/38-22
- hazard_code
- F,C,Xn
- safety_code
- 16-26-36/37/39-45-36
- 위험 등급
- IRRITANT
- Hazard Classifications
- Acute Tox. 4 OralAquatic Acute 1Aquatic Chronic 1Eye Irrit. 2Skin Sens. 1STOT SE 3
- 스토리지 클래스
- 11 - Combustible Solids
화학 및 산업
약리 정보
FDA Pharmacological Classification
PAROXETINE HYDROCHLORIDE HEMIHYDRATE
Serotonin Uptake Inhibitors [MoA]; Serotonin Reuptake Inhibitor [EPC]
MeSH Pharmacological Classification
A structurally and mechanistically diverse group of drugs that are not tricyclics or monoamine oxidase inhibitors. The most clinically important appear to act selectively on serotonergic systems, especially by inhibiting serotonin reuptake.
Compounds that specifically inhibit the reuptake of serotonin in the brain.
Drugs and compounds which inhibit or antagonize the biosynthesis or actions of CYTOCHROME P-450 CYP2D6.
응용 분야
용도Antidepressant;5-HT uptake inhibitor
일반 설명Pharmaceutical secondary standards for application in quality control provide pharma laboratories and manufacturers with a convenient and cost-effective alternative to the preparation of in-house working standards
상·하류 제품 정보
상류 원료
하류 제품
공급사100 곳
国药集团化学试剂有限公司86-21-63210123 · [email protected]
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