HIT ID: HIT212712480
Cas No: 120444-72-6
分子式: C24H35NO5
分子量: 417.546
常用名: Deramciclane fumarate
氢键受体数 (HBA): 2
氢键供体数 (HBD): 0
LogP: 4.299471
IUPAC: (2E)-but-2-enedioic acid; dimethyl(2-{[(1R,2S,4R)-1,7,7-trimethyl-2-phenylbicyclo[2.2.1]heptan-2-yl]oxy}ethyl)amine
IUPAC: (2E)-but-2-enedioic acid; dimethyl(2-{[(1R,2S,4R)-1,7,7-trimethyl-2-phenylbicyclo[2.2.1]heptan-2-yl]oxy}ethyl)amine
SMILES: OC(=O)\C=C\C(O)=O.[H][C@]12CC[C@](C)(C1(C)C)[C@@](C2)(OCCN(C)C)c1ccccc1
SMILES: OC(=O)\C=C\C(O)=O.[H][C@]12CC[C@](C)(C1(C)C)[C@@](C2)(OCCN(C)C)c1ccccc1
InChI key: RFQWRWCCNQNACG-HJYQBBATSA-N
