74051-31-3
3-HYDROXY-8-METHYL-1-ALPHA-H,5-ALPHA-H-TROPANIUM BROMIDE BENZILATE
Name3-HYDROXY-8-METHYL-1-ALPHA-H,5-ALPHA-H-TROPANIUM BROMIDE BENZILATE
1Identification
【Name】
3-HYDROXY-8-METHYL-1-ALPHA-H,5-ALPHA-H-TROPANIUM BROMIDE BENZILATE
【CAS】
【MDL】
MFCD01677470
【English Synonyms】
【Formula】
C23 H28 N O3 . Br
【MolWeight】
446.382
【Inchi】
InChI=1S/C23H28NO3.BrH/c1-24(2)19-13-14-20(24)16-21(15-19)27-22(25)23(26,17-9-5-3-6-10-17)18-11-7-4-8-12-18;/h3-12,19-21,26H,13-16H2,1-2H3;1H/q+1;/p-1/t19-,20+,21?;
【InChIKey】
InChIKey=ZCJSCRMQKIMVKE-ILOBMFFHSA-M
【SMILES】
C[N+]1([C@@H]2CC[C@H]1CC(C2)OC(=O)C(c3ccccc3)(c4ccccc4)O)C.[Br-]
【MOL File】
3-HYDROXY-8-METHYL-1….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:4
XLogP3:1.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
3-HYDROXY-8-METHYL-1-ALPHA-H,5-ALPHA-H-TROPANIUM BROMIDE BENZILATE.cml