(+/-)-trans-6-Cyclopropylmethyl-2-diethylaminocarbonyl-8a-(3-methoxyphenyl)-3-methyl-4,4a,5,6,7,8,8a,9-octahydro-1H-pyrrolo[2,3-g]isoquinoline hydrochloride

HCID 22883672
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기본 정보

표준 SMILES
CCN(CC)C(=O)c1[nH]c2c(c1C)C[C@@H]1CN(CC3CC3)CC[C@@]1(c1cccc(OC)c1)C2.Cl
InChIKey
XBGYVRRYZADCAF-HCUDLGEDSA-N
분자식
C28H40ClN3O2
평균 분자량
486.1 g/mol

이름 및 식별자

우선 이름
(+/-)-trans-6-Cyclopropylmethyl-2-diethylaminocarbonyl-8a-(3-methoxyphenyl)-3-methyl-4,4a,5,6,7,8,8a,9-octahydro-1H-pyrrolo[2,3-g]isoquinoline hydrochloride
IUPAC
(4aS,8aR)-6-(cyclopropylmethyl)-N,N-diethyl-8a-(3-methoxyphenyl)-3-methyl-4,4a,5,7,8,9-hexahydro-1H-pyrrolo[2,3-g]isoquinoline-2-carboxamide;hydrochloride

이름 및 동의어

SCHEMBL7485865XBGYVRRYZADCAF-HCUDLGEDSA-N(+/-)-trans-6-Cyclopropylmethyl-2-diethylaminocarbonyl-8a-(3-methoxyphenyl)-3-methyl-4,4a,5,6,7,8,8a,9-octahydro-1H-pyrrolo[2,3-g]isoquinoline hydrochloride

데이터베이스 식별자

PubChem CID
22883672

물성

구조 계산 물성

극성 표면적
48.6 Ų
수소 결합 공여자 수
2
수소 결합 수용자 수
3
회전 가능 결합 수
7
무거운 원자 수
34

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연결된 노트

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(+/-)-trans-6-Cyclopropylmethyl-2-diethylaminocarbonyl-8a-(3-methoxyphenyl)-3-methyl-4,4a,5,6,7,8,8a,9-octahydro-1H-pyrrolo[2,3-g]isoquinoline hydrochloride (HCID 22883672)｜Huagongshe