Sergolexole maleate
HIT219159043
sdf文件结构编辑类似物检索
HIT ID: HIT219159043
Cas No: 108674-87-9
分子式: C30H40N2O7
分子量: 540.657
常用名: Sergolexole maleate
氢键受体数 (HBA):
氢键供体数 (HBD):
LogP:
IUPAC: (1r,4r)-4-methoxycyclohexyl (2R,4R,7R)-6-methyl-11-(propan-2-yl)-6,11-diazatetracyclo[7.6.1.0^{2,7}.0^{12,16}]hexadeca-1(16),9,12,14-tetraene-4-carboxylate; (2Z)-but-2-enedioic acid
IUPAC: (1r,4r)-4-methoxycyclohexyl (2R,4R,7R)-6-methyl-11-(propan-2-yl)-6,11-diazatetracyclo[7.6.1.0^{2,7}.0^{12,16}]hexadeca-1(16),9,12,14-tetraene-4-carboxylate; (2Z)-but-2-enedioic acid
SMILES: OC(=O)\C=C/C(O)=O.[H][C@@]12Cc3cn(C(C)C)c4cccc(c34)[C@@]1([H])C[C@H](CN2C)C(=O)O[C@H]1CC[C@@H](CC1)OC
SMILES: OC(=O)\C=C/C(O)=O.[H][C@@]12Cc3cn(C(C)C)c4cccc(c34)[C@@]1([H])C[C@H](CN2C)C(=O)O[C@H]1CC[C@@H](CC1)OC
InChI key: AWRYUNKJBYLYFR-RTFBGVDVSA-N
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