(1R,2S)-2-{[(3aR,4R,9bR)-4-Phenyl-2,3,3a,4,5,9b-hexahydro-1H-pyrrolo[3,2-c]quinolin-1-yl]carbonyl}cyclohexylamine dihydrochloride (HCID 67304459)

기본 정보

표준 SMILES: Cl.Cl.N[C@@H]1CCCC[C@@H]1C(=O)N1CC[C@@H]2[C@H](c3ccccc3)Nc3ccccc3[C@@H]21
InChIKey: QDZGMBRVYAVJIR-LLKMLIONSA-N
분자식: C24H31Cl2N3O
평균 분자량: 448.4 g/mol

이름 및 식별자

우선 이름: (1R,2S)-2-{[(3aR,4R,9bR)-4-Phenyl-2,3,3a,4,5,9b-hexahydro-1H-pyrrolo[3,2-c]quinolin-1-yl]carbonyl}cyclohexylamine dihydrochloride
IUPAC: [(3aR,4R,9bR)-4-phenyl-2,3,3a,4,5,9b-hexahydropyrrolo[3,2-c]quinolin-1-yl]-[(1S,2R)-2-aminocyclohexyl]methanone;dihydrochloride

이름 및 동의어

SCHEMBL2173558QDZGMBRVYAVJIR-LLKMLIONSA-N(1R,25)-2-{[(3aR,4R,9bR)-4-Phenyl-2,3,3a,4,5,9b-hexahydro-1H-pyrrolo[3,2-c]quinolin-1-yl]carbonyl}cyclohexylamine dihydrochloride(1R,2S)-2-{[(3aR,4R,9bR)-4-Phenyl-2,3,3a,4,5,9b-hexahydro-1H-pyrrolo[3,2-c]quinolin-1-yl]carbonyl}cyclohexylamine dihydrochloride

데이터베이스 식별자

PubChem CID: 67304459

물성

구조 계산 물성

극성 표면적: 58.4 Å²
수소 결합 공여자 수: 4
수소 결합 수용자 수: 3
회전 가능 결합 수: 2
무거운 원자 수: 30
형식 전하: 0
복잡도: 560

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