4-[4-(6-Fluoro-1,2-benzisoxazol-3-yl)-1-piperidinyl]2-methyl-2-hydroxybutane fumarate
기본 정보
- 표준 SMILES
CC(C)(O)CCN1CCC(c2noc3cc(F)ccc23)CC1.O=C(O)/C=C/C(=O)O- InChIKey
IUWSIQLBTXRUIP-WLHGVMLRSA-N- 분자식
- C21H27FN2O6
- 평균 분자량
- 422.4 g/mol
이름 및 식별자
- 우선 이름
- 4-[4-(6-Fluoro-1,2-benzisoxazol-3-yl)-1-piperidinyl]2-methyl-2-hydroxybutane fumarate
- IUPAC
- (E)-but-2-enedioic acid;4-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]-2-methylbutan-2-ol
이름 및 동의어
SCHEMBL1545545IUWSIQLBTXRUIP-WLHGVMLRSA-N4 -[4-(6-Fluoro-1,2-benzisoxazol-3-yl)-1-piperidinyl]-2-methyl-2-hydroxybutane fumarate4-[4-(6-Fluoro-1,2-benzisoxazol-3-yl)-1-piperidinyl]-2-methyl-2-hydroxybutane fumarate4-[4-(6-Fluoro-1,2-benzisoxazol-3-yl)-1-piperidinyl]-2-methyl-2hydroxybutane fumarate4-[4-(6-Fluoro-1,2-benzisoxazol-3-yl)-1-piperidinyl]2-methyl-2-hydroxybutane fumarate4-[4-(6-Fluoro-1,2-benzisoxazol-3-yl)-1piperidinyl]-2-methyl-2-hydroxybutane fumarate4-[4-(6-Fluoro-1,2-benzisoxazol-3-yl)1-piperidinyl]-2-methyl-2-hydroxybutane fumarate4-[4-(6-Fluoro-1,2-benzisoxazol-3yl)-1-piperidinyl]-2-methyl-2-hydroxybutane fumarate4-[4-(6-Fluoro-1.2-benzisoxazol-3-yl)-1-piperidinyl]-2-methyl-2-hydroxybutane fumarate
데이터베이스 식별자
- PubChem CID
- 21960102
물성
구조 계산 물성
- 극성 표면적
- 124 Ų
- 수소 결합 공여자 수
- 3
- 수소 결합 수용자 수
- 9
- 회전 가능 결합 수
- 6
- 무거운 원자 수
- 30
- 형식 전하
- 0
- 복잡도
- 491
관련 반응
74건
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