Fumaritine N-oxide
HIT101840137
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HIT ID: HIT101840137
Cas No: 60604-88-8
分子式: C20H21NO6
分子量: 371.389
常用名: Fumaritine N-oxide
氢键受体数 (HBA): 6
氢键供体数 (HBD): 2
LogP: 1.11
IUPAC: 7',8-dihydroxy-6'-methoxy-2'-methyl-3',4',6,8-tetrahydro-2H,2'H-spiro[indeno[4,5-d][1,3]dioxole-7,1'-isoquinolin]-2'-ium-2'-olate
IUPAC: 7',8-dihydroxy-6'-methoxy-2'-methyl-3',4',6,8-tetrahydro-2H,2'H-spiro[indeno[4,5-d][1,3]dioxole-7,1'-isoquinolin]-2'-ium-2'-olate
SMILES: COc1cc2CC[N+](C)([O-])C3(Cc4ccc5OCOc5c4C3O)c2cc1O
SMILES: COc1cc2CC[N+](C)([O-])C3(Cc4ccc5OCOc5c4C3O)c2cc1O
InChI key: GIGLNPLPIFRSFH-UHFFFAOYSA-N
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