15620-21-0
3-ALPHA-((1-METHYL-10,11-DIHYDRO-5H-DIBENZO(A,D)CYCLOHEPTEN-5-YL)OXY)TROPANE OXALATE
Name3-ALPHA-((1-METHYL-10,11-DIHYDRO-5H-DIBENZO(A,D)CYCLOHEPTEN-5-YL)OXY)TROPANE OXALATE
FormulaC24 H29 N O . C2 H2 O4
1Identification
【Name】
3-ALPHA-((1-METHYL-10,11-DIHYDRO-5H-DIBENZO(A,D)CYCLOHEPTEN-5-YL)OXY)TROPANE OXALATE
【CAS】
【MDL】
MFCD01677537
【English Synonyms】
【Formula】
C24 H29 N O . C2 H2 O4
【MolWeight】
437.533
【Inchi】
InChI=1S/C24H29NO.C2H2O4/c1-16-6-5-9-23-21(16)13-10-17-7-3-4-8-22(17)24(23)26-20-14-18-11-12-19(15-20)25(18)2;3-1(4)2(5)6/h3-9,18-20,24H,10-15H2,1-2H3;(H,3,4)(H,5,6)/t18-,19+,20+,24?;
【InChIKey】
InChIKey=BZJCJTAINLUPEI-HMNDIKAHSA-N
【SMILES】
Cc1cccc2c1CCc3ccccc3C2O[C@H]4C[C@H]5CC[C@@H](C4)N5C.C(=O)(C(=O)O)O
【MOL File】
3-ALPHA-((1-METHYL-1….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-((1-METHYL-10,11-DIHYDRO-5H-DIBENZO(A,D)CYCLOHEPTEN-5-YL)OXY)TROPANE OXALATE.cml