RU-46178

HCID 59762644CAS 149881-40-3

기본 정보

표준 SMILES: CCOC(=O)[C@H](CCc1ccccc1)N1C(=O)[C@@H]2C[C@H]3CCCC[C@@H]3N2C(=O)[C@@H]1C
InChIKey: AKUCMKAPHCGRFV-WTNASJBWSA-N
분자식: C24H32N2O4
평균 분자량: 412.5 g/mol

이름 및 식별자

우선 이름: RU-46178
IUPAC: ethyl (2S)-2-[(3S,5aS,9aR,10aS)-3-methyl-1,4-dioxo-5a,6,7,8,9,9a,10,10a-octahydro-3H-pyrazino[1,2-a]indol-2-yl]-4-phenylbutanoate
영어명: Trandolapril Related Compound D (25 mg) ((S)-ethyl 2-[(3S, 5aS, 9aR, 10aS)-3-methyl-1,4-dioxodecahydropyrazino[1,2-a]indol-2(1H)-yl]-4-phenylbutanoate)
분자식: C24H32N2O4
분자량: 412.52

이름 및 동의어

Trandolapril Diketopiperazine149881-40-3RU-46178UNII-4768A319U6Trandolapril specified impurity D [EP]RU 461784768A319U6Ethyl (2S)-2-((3S,5aS,9aR,10aS)-3-methyl-1,4-dioxodecahydropyrazino(1,2-a)indol-2(1H)-yl)-4-phenylbutanoateTRANDOLAPRIL IMPURITY D [EP IMPURITY]Pyrazino(1,2-a)indole-2(1H)-acetic acid, decahydro-3-methyl-1,4-dioxo-alpha-(2-phenylethyl)-, ethyl ester, (alphaS,3S,5aS,9aR,10aS)-PYRAZINO(1,2-A)INDOLE-2(1H)-ACETIC ACID, DECAHYDRO-3-METHYL-1,4-DIOXO-.ALPHA.-(2-PHENYLETHYL)-, ETHYL ESTER, (.ALPHA.S,3S,5AS,9AR,10AS)-TRANDOLAPRIL IMPURITY D (EP IMPURITY)

이름 더 보기

TRANDOLAPRIL SRS LACTAMTrentopril EP Impurity DTrandolapril Related CoMpound DTrandolapril EP Impurity D (USP RC D)Trandolapril Impurity 4（Trandolapril EP Impurity D）Trandolapril EP Impurity D/ Trandolapril Related Compound D (Trandolapril Diketopiperazine)(S)-ethyl 2-[(3S,5aS,9aR,10aS)-3-Methyl-1,4-dioxodecahydropyrazino[1,2-a]indol-2(1H)-yl]-4-phenylbutanoate

Pyrazino[1,2-a]indole-2(1H)-acetic acid, decahydro-3-methyl-1,4-dioxo-alpha-(2-phenylethyl)-, ethyl ester, (alphaS,3S,5aS,9aR,10aS)-RefChem:202908Trandolapril specified impurity DTrandolapril EP Impurity Dethyl (2S)-2-[(3S,5aS,9aR,10aS)-3-methyl-1,4-dioxo-5a,6,7,8,9,9a,10,10a-octahydro-3H-pyrazino[1,2-a]indol-2-yl]-4-phenylbutanoate(S)-Ethyl 2-((3S,5aS,9aR,10aS)-3-methyl-1,4-dioxodecahydropyrazino[1,2-a]indol-2(1H)-yl)-4-phenylbutanoateTrandolapril impurity D CRSSCHEMBL8262782

데이터베이스 식별자

CAS: 149881-40-3
PubChem CID: 59762644
UNII: 4768A319U6
EC Number: 690-069-9

물성

구조 계산 물성

XLogP: 4
극성 표면적: 66.9 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 4
회전 가능 결합 수: 7
무거운 원자 수: 30
형식 전하: 0
복잡도: 660

물리화학적 성질

녹는점: 153 · 153-155°C
끓는 점: 607.5 · 607.5±55.0 °C(Predicted)
밀도: 1.21 · 1.21±0.1 g/cm3(Predicted)
저장 조건: 2 · 2-8°C
용해도: 클로로포름(약간 용해됨), 메탄올(약간 용해됨)
산도 계수 (pKa): -1.16 · -1.16±0.40(Predicted)
색상: 흰색에서 황백색까지
주요 응용: 의약품(소분자)
InChIKey: AKUCMKAPHCGRFV-WTNASJBWSA-N
SMILES: N21[C@@H]3[C@@H](C[C@H]2C(=O)N([C@H](C1=O)C)[C@@H](CCc4ccccc4)C(=O)OCC)CCCC3

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H361 (98%): Suspected of damaging fertility or the unborn child [Warning Reproductive toxicity]

P203, P260, P280, P318, P319, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 49 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Hazard Classes and CategoriesRepr. 2 (98%)

안전 데이터

HS 번호: 2933997500

화학 및 산업

응용 분야

용도Trandolapril Diketopiperazine is a metabolite of the antihypertensive Trandolapril (Ru44570) (T713500), an angiotensin-converting enzyme inhibitor.

공급사23 곳

国药集团化学试剂有限公司86-21-63210123 · [email protected]

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]

广州隽沐生物科技股份有限公司020-36607679; 13502246435 · [email protected]

孟成科技（上海）有限公司400-820-6829 · [email protected]

연결된 노트

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