10140-00-8
3-ALPHA-((3-METHYL-5H-DIBENZO(A,D)CYCLOHEPTEN-5-YL)OXY)TROPANE MALEATE
Name3-ALPHA-((3-METHYL-5H-DIBENZO(A,D)CYCLOHEPTEN-5-YL)OXY)TROPANE MALEATE
FormulaC24 H27 N O . C4 H4 O4
1Identification
【Name】
3-ALPHA-((3-METHYL-5H-DIBENZO(A,D)CYCLOHEPTEN-5-YL)OXY)TROPANE MALEATE
【CAS】
【MDL】
MFCD01677541
【English Synonyms】
【Formula】
C24 H27 N O . C4 H4 O4
【MolWeight】
461.555
【Inchi】
InChI=1S/C24H27NO.C4H4O4/c1-16-7-8-18-10-9-17-5-3-4-6-22(17)24(23(18)13-16)26-21-14-19-11-12-20(15-21)25(19)2;5-3(6)1-2-4(7)8/h3-10,13,19-21,24H,11-12,14-15H2,1-2H3;1-2H,(H,5,6)(H,7,8)/b;2-1-/t19-,20+,21+,24?;
【InChIKey】
InChIKey=WUEPTNSAPUVRJL-URVHTBNLSA-N
【SMILES】
Cc1ccc2c(c1)C(c3ccccc3C=C2)O[C@H]4C[C@H]5CC[C@@H](C4)N5C.C(=C\C(=O)O)\C(=O)O
【MOL File】
3-ALPHA-((3-METHYL-5….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:2
XLogP3:5.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
3-ALPHA-((3-METHYL-5H-DIBENZO(A,D)CYCLOHEPTEN-5-YL)OXY)TROPANE MALEATE.cml