15620-18-5
3-ALPHA-((10,11-DIHYDRO-5H-DIBENZO(A,D)CYCLOHEPTEN-5-YL)OXY)-8-ETHYLNORTROPANE CITRATE
Name3-ALPHA-((10,11-DIHYDRO-5H-DIBENZO(A,D)CYCLOHEPTEN-5-YL)OXY)-8-ETHYLNORTROPANE CITRATE
pro_formulaC24 H29 N O . C6 H8 O7
1Identification
【Name】
3-ALPHA-((10,11-DIHYDRO-5H-DIBENZO(A,D)CYCLOHEPTEN-5-YL)OXY)-8-ETHYLNORTROPANE CITRATE
【CAS】
【MDL】
MFCD01711242
【中文同义词】
【EnglishSynonyms】
【pro_formula】
C24 H29 N O . C6 H8 O7
【pro_molWeight】
539.621
【Inchi】
InChI=1S/C24H29NO.C6H8O7/c1-2-25-19-13-14-20(25)16-21(15-19)26-24-22-9-5-3-7-17(22)11-12-18-8-4-6-10-23(18)24;7-3(8)1-6(13,5(11)12)2-4(9)10/h3-10,19-21,24H,2,11-16H2,1H3;13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)/t19-,20+,21+;
【InChIKey】
InChIKey=OUNLAUVTRJVESD-QYESKELBSA-N
【SMILES】
CCN1[C@@H]2CC[C@H]1C[C@H](C2)OC3c4ccccc4CCc5c3cccc5.C(C(=O)O)C(CC(=O)O)(C(=O)O)O
【MOL File】
3-ALPHA-((10,11-DIHY….mol
2ChemicalProperties
【ComputedProperties】
pro_donors:0
pro_acceptors:2
XLogP3:5.0
Bulk/Fine:F
3MaterialMSDS
4CMLFile
3-ALPHA-((10,11-DIHYDRO-5H-DIBENZO(A,D)CYCLOHEPTEN-5-YL)OXY)-8-ETHYLNORTROPANE CITRATE.cml