4-[4-(6-Fluoro-1,2-benzisoxazol-3-yl)-1-piperidinyl]2-methyl-2-hydroxybutane fumarate

HCID 21960102

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

관련 반응

74건

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