8-(P-(2-ETHYLBUTYL)BENZYL)ATROPINIUM BROMIDE

78371-78-5

MFCD01677509

C30 H42 N O3 . Br

544.57

InChI=1S/C30H42NO3.BrH/c1-4-22(5-2)17-23-11-13-24(14-12-23)20-31(3)26-15-16-27(31)19-28(18-26)34-30(33)29(21-32)25-9-7-6-8-10-25;/h6-14,22,26-29,32H,4-5,15-21H2,1-3H3;1H/q+1;/p-1/t26-,27+,28+,29?,31?;

InChIKey=HPPQBWDPNMXTHC-JWKFFUIZSA-M

CCC(CC)Cc1ccc(cc1)C[N+]2([C@H]3CC[C@@H]2C[C@@H](C3)OC(=O)C(CO)c4ccccc4)C.[Br-]

氢键供体数量:1

氢键受体数量:4

XLogP3:5.0

Bulk/Fine:F