Tiotropium bromide hydrate

Details:

Company Profile:
Company Name: Jinan Hongfangde Pharmatech Co.,Ltd.
Main Products: Neotame, Gadopentetetic acid, Sertaconazole nitrate, Donepezil, Cinchocaine, Prilocaine, Tetracaine, Nadifloxacin, Tiotropium bromide, Esomeprazole sodium, Gadopentetic acid, etc.
Main Applications: food industry, medical industry, etc.

Tiotropium bromide hydrate:

CAS No.: 139404-48-1

Name: Tiotropium bromide hydrate

Superlist Name: Tiotropium bromide hydrate

Formula: C₁₉H₂₂BrNO₄S₂^.xH₂O

Synonyms: 3-Oxa-9-azoniatricyclo[3.3.1.02,4]nonane,7-[(hydroxydi-2-thienylacetyl)oxy]-9,9-dimethyl-, bromide, hydrate, (1a,2b,4b,5a,7b)- (9CI)
 

Introduction of Tiotropium bromide hydrate (CAS No. 139404-48-1)

Tiotropium bromide hydrate, with the systematic name of (1R,2R,4S,5S,7s)-7-[2-Hydroxy(di-2-thienyl)acetoxy]-9,9-dimethyl-3-oxa-9-azoniatricyclo[3.3.1.02,4]nonane bromide hydrate (1:1:1), is one kind of white powder.

Chemical properties of Tiotropium bromide hydrate (CAS No. 139404-48-1)

Tiotropium bromide hydrate has the following datas:
#H bond acceptors: 6 
#H bond donors: 3 
#Freely Rotating Bonds: 6 
Polar Surface Area:  115.54

Structure datas of Tiotropium bromide hydrate (CAS No. 139404-48-1)

The following datas could be converted into the molecular structure:
(1)Canonical SMILES: C[N+]1(C2CC(CC1C3C2O3)OC(=O)C(C4=CC=CS4)(C5=CC=CS5)O)C.[Br-]
(2)Isomeric SMILES: C[N+]1([C@@H]2CC(C[C@H]1[C@@H]3[C@H]2O3)OC(=O)C(C4=CC=CS4)(C5=CC=CS5)O)C.[Br-]
(3)InChI: InChI=1S/C19H22NO4S2.BrH/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/q+1;/p-1/t11,12-,13+,16+,17-;
(4)InChIKey of Tiotropium bromide (CAS NO.139404-48-1): DQHNAVOVODVIMG-CJTHRXGHSA-M

Application:
Pharmcetical Intermediates.

Laboratory Pictures: