15620-25-4
3-ALPHA-((5,6,7,12-TETRAHYDRODIBENZO(A,D)CYCLOOCTEN-2-YL)OXY)TROPANE FUMARATE
Name3-ALPHA-((5,6,7,12-TETRAHYDRODIBENZO(A,D)CYCLOOCTEN-2-YL)OXY)TROPANE FUMARATE
FormulaC24 H29 N O . C4 H4 O4
1Identification
【Name】
3-ALPHA-((5,6,7,12-TETRAHYDRODIBENZO(A,D)CYCLOOCTEN-2-YL)OXY)TROPANE FUMARATE
【CAS】
【MDL】
MFCD01677547
【English Synonyms】
【Formula】
C24 H29 N O . C4 H4 O4
【MolWeight】
463.571
【Inchi】
InChI=1S/C24H29NO.C4H4O4/c1-25-21-10-11-22(25)16-24(15-21)26-23-12-9-18-8-4-7-17-5-2-3-6-19(17)13-20(18)14-23;5-3(6)1-2-4(7)8/h2-3,5-6,9,12,14,21-22,24H,4,7-8,10-11,13,15-16H2,1H3;1-2H,(H,5,6)(H,7,8)/b;2-1+/t21-,22+,24+;
【InChIKey】
InChIKey=DXZOOSYOFOPPGX-TYANINFXSA-N
【SMILES】
CN1[C@@H]2CC[C@H]1C[C@H](C2)Oc3ccc4c(c3)Cc5ccccc5CCC4.C(=C/C(=O)O)\C(=O)O
【MOL File】
3-ALPHA-((5,6,7,12-T….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:2
XLogP3:6.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
3-ALPHA-((5,6,7,12-TETRAHYDRODIBENZO(A,D)CYCLOOCTEN-2-YL)OXY)TROPANE FUMARATE.cml