기본 정보
- 표준 SMILES
O=C(O)/C=C/C(=O)O.OC(CN1CCC(c2noc3cc(F)ccc23)CC1)CN1CCCc2ccccc21.OC(CN1CCC(c2noc3cc(F)ccc23)CC1)CN1CCCc2ccccc21- InChIKey
CCIRNENSDMRAFU-WXXKFALUSA-N- 분자식
- C52H60F2N6O8
- 평균 분자량
- 935.1 g/mol
이름 및 식별자
- 우선 이름
- N-(3-[4-(6-Fluoro-1,2-benzisoxazol-3-yl)-1-piperidinyl)-2-hydroxy-1-propyl]-1,2,3,4-tetrahydroquinoline hemifumarate
- IUPAC
- (E)-but-2-enedioic acid;bis(1-(3,4-dihydro-2H-quinolin-1-yl)-3-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]propan-2-ol)
이름 및 동의어
N-(3-[4-(6-Fluoro-1,2-benzisoxazol-3-yl)-1-piperidinyl)-2-hydroxy-1-propyl]-1,2,3,4-tetrahydroquinoline hemifumarateN-[3-[4-(6-Fluoro-1,2-benzisoxazol-3-yl)-1-piperidinyl)-2-hydroxy-1-propyl]-1,2,3,4-tetrahydroquinoline hemifumarateN-[3-[4-(6-Fluoro-1,2-benzisoxazol-3-yl)-1-piperidinyl]-2-hydroxy-1-propyl]-1,2,3,4-tetrahydroquinoline HemifumarateCCIRNENSDMRAFU-WXXKFALUSA-NN-[3-[4-(6-Fluoro-1,2-benzisoxazol-3-yl)-1-piperidinyl)-2-hydroxy-1-propyl]-1,2,3,4--tetrahydroquinoline hemifumarateN-[3-[4-(6-Fluoro-1,2-benzisoxazol-3-yl)-1-piperidinyl)-2-hydroxy-1-propyl]1,2,3,4-tetrahydroquinoline hemifumarateN-[3-[4-(6-Fluoro-1,2-benzisoxazol-3-yl)1-piperidinyl)-2-hydroxy-1-propyl]-1,2,3,4-tetrahydroquinoline hemifumarateN-[3-[4-(6-Fluoro-1,2-benzoisoxazol-3-yl)-1-piperidinyl]-2-hydroxy-1-propyl]-1,2,3,4-tetrahydroquinoline hemifumarateN-[3-[4-(6-Fluoro1,2-benzisoxazol-3-yl)-1-piperidinyl)-2-hydroxy-1-propyl]-1,2,3,4-tetrahydroquinoline hemifumarate
데이터베이스 식별자
- PubChem CID
- 131719503
물성
구조 계산 물성
- 극성 표면적
- 180 Ų
- 수소 결합 공여자 수
- 4
- 수소 결합 수용자 수
- 16
- 회전 가능 결합 수
- 12
- 무거운 원자 수
- 68
- 형식 전하
- 0
- 복잡도
- 678
관련 반응
64건
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