1-[3-[3-[4-(6-Fluoro-1,2-benzisoxazol-3-yl)-1-piperidinyl]propoxy]phenyl)ethanone fumarate

HCID 21960098

기본 정보

표준 SMILES
CC(=O)c1cccc(OCCCN2CCC(c3noc4cc(F)ccc34)CC2)c1.O=C(O)/C=C/C(=O)O
InChIKey
HUVQBICZPAKKQD-WLHGVMLRSA-N
분자식
C27H29FN2O7
평균 분자량
512.5 g/mol
단동위원소 질량
512.19587943

이름 및 식별자

우선 이름
1-[3-[3-[4-(6-Fluoro-1,2-benzisoxazol-3-yl)-1-piperidinyl]propoxy]phenyl)ethanone fumarate
IUPAC
(E)-but-2-enedioic acid;1-[3-[3-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]propoxy]phenyl]ethanone

이름 및 동의어

1-[3-[3-[4-(6-fluoro-1,2-benzisoxazol-3-yl)-1-piperidinyl]propoxy]phenyl)ethanone fumarate1-[3-[3-[4-(6-fluoro-1,2-benzisoxazol-3-yl)-1-piperidinyl]propoxy]phenyl]ethanone fumarateSCHEMBL1544827HUVQBICZPAKKQD-WLHGVMLRSA-N1-[3-[3-[4-(6-fluoro-1,2-benzisoxazol-3yl) 1-piperidinyl]propoxy]phenyl]ethanone fumarate1-[3-[3-[4-(6-fluoro-1,2-benzisoxazol-3yl)-1-piperidinyl]propoxy]phenyl]ethanone fumarate1-[3-[3-[4-(6-fluoro-1, 2-benzisoxazol-3-yl)-1-piperidinyl]propoxy]phenyl]ethanone fumarate1-[3-[3-[4-(6-fluoro-1,2-benzisoxazol-3-yl) -1-piperidinyl]propoxy]phenyl]ethanone fumarate1-[3-[3-[4-(6-fluoro-1,2-benzisoxazole-3-yl)-1-piperidinyl]propoxy]phenyl]ethanone fumarate1-[3-[3-[4-(6-fluoro-l,2-benzisoxazol-3-yl)-1-piperidinyl]propoxy]phenyl]ethanone fumarate

데이터베이스 식별자

PubChem CID
21960098

물성

구조 계산 물성

극성 표면적
130 Ų
수소 결합 공여자 수
2
수소 결합 수용자 수
10
회전 가능 결합 수
9
무거운 원자 수
37

관련 반응

74건

화합물 노트

불러오는 중…

1-[3-[3-[4-(6-Fluoro-1,2-benzisoxazol-3-yl)-1-piperidinyl]propoxy]phenyl)ethanone fumarate (HCID 21960098)|Huagongshe