기본 정보
- CAS
253768-88-6- 표준 SMILES
O=C(Oc1ccccc1)N1CC[C@@H](c2ccc(F)cc2)[C@H](COc2ccc3c(c2)OCO3)C1- InChIKey
XHNUMAXRQGMHKZ-CVDCTZTESA-N- 분자식
- C26H24FNO5
- 평균 분자량
- 449.5 g/mol
- 단동위원소 질량
- 449.16385103
이름 및 식별자
- 우선 이름
- N-Phenoxycarbonylparoxetine
- IUPAC
- phenyl (3S,4R)-3-(1,3-benzodioxol-5-yloxymethyl)-4-(4-fluorophenyl)piperidine-1-carboxylate
- 영어명
- Paroxetine Related Impurity 9
- 분자식
- C26H24FNO5
- 분자량
- 449.47
이름 및 동의어
N-Phenoxycarbonylparoxetine253768-88-6RRK5K64ES7(-)-trans-4-(4-Fluorophenyl)-3-(3,4-methylenedioxyphenoxymethyl)-1-phenoxycarbonylpiperidinePhenyl (3S,4R)-3-((1,3-benzodioxol-5-yloxy)methyl)-4-(4-fluorophenyl)-1-piperidinecarboxylateDTXSID2011190741-Piperidinecarboxylic acid, 3-((1,3-benzodioxol-5-yloxy)methyl)-4-(4-fluorophenyl)-, phenyl ester, (3S,4R)-Phenyl (3S,4R)-3-[(1,3-benzodioxol-5-yloxy)methyl]-4-(4-fluorophenyl)-1-piperidinecarboxylateRefChem:830914DTXCID201550634430-510-2924-743-3
이름 더 보기
Paroxetine impurities766Paroxetine impurities767(3S,4R)-3-((benzo[d][1,3]dioxol-4-yloxy)methyl)-4-(4-fluorophenyl)piperidine: (-)-trans-4-(4-fluorophenyl)-3-(3,4-methylendioxiphenoxymethyl)-1-phenoxycarboxy-piperidinePhenyl (3S,4R)-3-[(1,3-benzodioxol-5-yloxy)methyl]-4-(4-fluorophenyl)piperidine-1-carboxylate(3S,4R)-phenyl 3-((benzo[d][1,3]dioxol-5-yloxy)methyl)-4-(4- fluorophenyl)piperidine-1-carboxylate1-Piperidinecarboxylic acid, 3-[(1,3-benzodioxol-5-yloxy)methyl]-4-(4-fluorophenyl)-, phenyl ester, (3S,4R)-
물성
구조 계산 물성
- XLogP
- 5.4
- 극성 표면적
- 57.2 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 6
- 회전 가능 결합 수
- 6
- 무거운 원자 수
- 33
- 형식 전하
- 0
- 복잡도
- 636
물리화학적 성질
- 녹는점
- 106 · 106-108°C
- 저장 조건
- -20 °C · Hygroscopic, -20°C Freezer, Under inert atmosphere
- 용해도
- 클로로포름(약간 용해됨), 메탄올(약간 용해됨, 가열, 초음파 처리)
- 물리적 상태
- 고체
- 색상
- 하얀색
- 안정성
- 흡습성
- 주요 응용
- 소분자 약용
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
H413 (100%): May cause long lasting harmful effects to aquatic life [Hazardous to the aquatic environment, long-term hazard]
P273, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 2 reports by companies from 1 notifications to the ECHA C&L Inventory.
Warning
H361 (100%): Suspected of damaging fertility or the unborn child [Warning Reproductive toxicity]
P203, P280, P318, P405, and P501 (click each P-code to see the statement)
유해성 정보
Regulatory Information
REACH registered substance: phenyl (3S,4R)-3-[(1,3-benzodioxol-5-yloxy)methyl]-4-(4-fluorophenyl)-1-piperidinecarboxylate (EC: 430-510-2)
REACH registered substance: : (-)-trans-4-(4-fluorophenyl)-3-(3,4-methylendioxiphenoxymethyl)-1-phenoxycarboxy-piperidine (EC: 607-713-1)
REACH registered substance: phenyl (3S,4R)-3-[(1,3-benzodioxol-5-yloxy)methyl]-4-(4-fluorophenyl)-1-piperidinecarboxylate (EC: 924-743-3)
Hazard Classes and Categories
Aquatic Chronic 4 (100%)
Repr. 2 (100%)
안전 데이터
- wgk
- WGK 2
- Hazard Classifications
- Aquatic Chronic 4Repr. 2
- 스토리지 클래스
- 11 - Combustible Solids
화학 및 산업
응용 분야
용도N-Phenoxycarbonylparoxetine is an impurity of Paroxetine (P205750), a selective serotonin reuptake inhibitor. Used as an antidepressant.
상·하류 제품 정보
상류 원료
공급사32 곳
济南百隆化学有限公司[email protected] · [email protected]
怀化元研达生物技术有限责任公司18711085600 · [email protected]
广州隽唐科技有限公司020-36607679 13502246435 · [email protected]
怀化元研达生物技术有限责任公司18711085600; 18229999901 · [email protected]
希瓦生物科技（广州）有限公司13268215580 · [email protected]
山东沃德森生物科技有限公司0531-88723173 18596073690 · [email protected]
上海尺水药物研究有限公司[email protected] 13564957716 · [email protected]
BOC Sciences1-631-485-4226; 16314854226 · [email protected]
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