102432-97-3
8-(P-METHYLBENZYL)ATROPINIUM BROMIDE
Name8-(P-METHYLBENZYL)ATROPINIUM BROMIDE
1Identification
【Name】
8-(P-METHYLBENZYL)ATROPINIUM BROMIDE
【CAS】
【MDL】
MFCD01677469
【English Synonyms】
【Formula】
C25 H32 N O3 . Br
【MolWeight】
474.436
【Inchi】
InChI=1S/C25H32NO3.BrH/c1-18-8-10-19(11-9-18)16-26(2)21-12-13-22(26)15-23(14-21)29-25(28)24(17-27)20-6-4-3-5-7-20;/h3-11,21-24,27H,12-17H2,1-2H3;1H/q+1;/p-1/t21-,22+,23+,24?,26?;
【InChIKey】
InChIKey=SMCSTECNAZCDIV-YYYJYMDPSA-M
【SMILES】
Cc1ccc(cc1)C[N+]2([C@H]3CC[C@@H]2C[C@@H](C3)OC(=O)C(CO)c4ccccc4)C.[Br-]
【MOL File】
8-(P-METHYLBENZYL)AT….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:4
XLogP3:2.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
8-(P-METHYLBENZYL)ATROPINIUM BROMIDE.cml