Tiotropium bromide hydrate

CAS No.
136310-93-5 ;139404-48-1
CCD No.
CCD00623614
Formula
C19 H22 N O4 S2 . Br . H2 O
MolWeight
490.437

Basic Information

Product Name: Tiotropium bromide hydrate
CAS: 136310-93-5 ;139404-48-1
English Synonyms: TIOTROPIUM BROMIDE MONOHYDRATE ; TIOTROPIUM BROMIDE HYDRATE ; TIOTROPIUM BROMIDE ; (1A,2B,4B,5A,7B)-7-[(HYDROXYDI-2-THIENYLACETY L)OXY]-9,9-DIMETHYL-3-OXA-9-AZONIATRICYCLO[3.3.1.02,4]NONANE BROMIDE HYDRATE ; TIOTROPIUM (BROMIDE) ; 3-OXA-9-AZONIATRICYCLO[3.3.1.02,4]NONANE, 7-[(HYDROXYDI-2-THIENYLACETYL)OXY]-9,9-DIMETHYL-, BROMIDE, HYDRATE, (1A,2BETA,4BETA,5A,7BETA)-
MDL Number.: MFCD08141831
H bond acceptor: 5
H bond donor: 1
Smile: C[N+]1([C@H]2C[C@@H](C[C@@H]1[C@@H]3[C@H]2O3)OC(=O)C(c4cccs4)(c5cccs5)O)C.O.[Br-]
InChi: InChI=1S/C19H22NO4S2.BrH.H2O/c1-20(2)12-9-11(10-13(20)17-16(12)24-17)23-18(21)19(22,14-5-3-7-25-14)15-6-4-8-26-15;;/h3-8,11-13,16-17,22H,9-10H2,1-2H3;1H;1H2/q+1;;/p-1/t11-,12-,13+,16-,17+;;
InChiKey: InChIKey=MQLXPRBEAHBZTK-SEINRUQRSA-M

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