15475-51-1
3-ALPHA-((3-BROMO-10,11-DIHYDRO-5H-DIBENZO(A,D)CYCLOHEPTEN-5-YL)OXY)TROPANE MALEATE
Name3-ALPHA-((3-BROMO-10,11-DIHYDRO-5H-DIBENZO(A,D)CYCLOHEPTEN-5-YL)OXY)TROPANE MALEATE
FormulaC23 H26 Br N O . C4 H4 O4
1Identification
【Name】
3-ALPHA-((3-BROMO-10,11-DIHYDRO-5H-DIBENZO(A,D)CYCLOHEPTEN-5-YL)OXY)TROPANE MALEATE
【CAS】
【MDL】
MFCD01677570
【English Synonyms】
【Formula】
C23 H26 Br N O . C4 H4 O4
【MolWeight】
528.44
【Inchi】
InChI=1S/C23H26BrNO.C4H4O4/c1-25-18-10-11-19(25)14-20(13-18)26-23-21-5-3-2-4-15(21)6-7-16-8-9-17(24)12-22(16)23;5-3(6)1-2-4(7)8/h2-5,8-9,12,18-20,23H,6-7,10-11,13-14H2,1H3;1-2H,(H,5,6)(H,7,8)/b;2-1-/t18-,19+,20+,23?;
【InChIKey】
InChIKey=NPKRFSLWKJGXLL-MIVGCJJASA-N
【SMILES】
CN1[C@@H]2CC[C@H]1C[C@H](C2)OC3c4ccccc4CCc5c3cc(cc5)Br.C(=C\C(=O)O)\C(=O)O
【MOL File】
3-ALPHA-((3-BROMO-10….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-((3-BROMO-10,11-DIHYDRO-5H-DIBENZO(A,D)CYCLOHEPTEN-5-YL)OXY)TROPANE MALEATE.cml