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Tiquizium Bromide

CAT: 0572-TRC-T445120-100MGSize: 100 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-T445120-100MGSize:100 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
71731-58-3
Synonyms
2H-Quinolizinium, 3-(di-2-thienylmethylene)octahydro-5-methyl-, bromide (1:1), (5R,9aR)-rel-; 2H-Quinolizinium, 3-(di-2-thienylmethylene)octahydro-5-methyl-, bromide, (5R,9aR)-rel- (9CI); 2H-Quinolizinium, 3-(di-2-thienylmethylene)octahydro-5-methyl-, bromide, trans-; HS 902; HSR 902; Thiaton; Tiquizium bromide
Hazard Statement
Harmful if swallowed.
Purity
>95% (HPLC)
Smiles
[Br-].C[N@+]12CCCC[C@@H]1CCC(=C(c3cccs3)c4cccs4)C2
Molecular Formula
C19 H24 N S2 . Br
Molecular Weight
410.43
InChI
InChI=1S/C19H24NS2.BrH/c1-20-11-3-2-6-16(20)10-9-15(14-20)19(17-7-4-12-21-17)18-8-5-13-22-18;/h4-5,7-8,12-13,16H,2-3,6,9-11,14H2,1H3;1H/q+1;/p-1/t16-,20-;/m1./s1
Additionnal Information
IUPAC name: (5R,9aR)-7-(dithiophen-2-ylmethylidene)-5-methyl-1,2,3,4,6,8,9,9a-octahydroquinolizin-5-ium;bromide
Shipping Conditions
Room Temperature
Storage Conditions
+4°C

Chemical Information

Tiquizium Bromide

Tiquizium bromide is a organic bromide salt of tiquizium. It is an antispasmodic drug used for the treatment of convulsion and hypermobility in gastritis, gastric ulcer, duodenal ulcer, enteritis, irritable bowel syndrome, gallbladder disease, biliary tract disease and urolithiasis. It has a role as a muscarinic antagonist, an anti-ulcer drug and an antispasmodic drug. It is a quaternary ammonium salt and an organic bromide salt. It contains a tiquizium.

CAS Number71731-58-3
PubChem CID72159
IUPAC Name(5R,9aR)-7-(dithiophen-2-ylmethylidene)-5-methyl-1,2,3,4,6,8,9,9a-octahydroquinolizin-5-ium bromide
Molecular FormulaC19H24BrNS2
Molecular Weight410.4
Topological Polar Surface Area56.5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Heavy Atom Count23
Formal Charge0
Complexity429
SMILES
C[N@+]12CCCC[C@@H]1CCC(=C(C3=CC=CS3)C4=CC=CS4)C2.[Br-]
InChI
InChI=1S/C19H24NS2.BrH/c1-20-11-3-2-6-16(20)10-9-15(14-20)19(17-7-4-12-21-17)18-8-5-13-22-18;/h4-5,7-8,12-13,16H,2-3,6,9-11,14H2,1H3;1H/q+1;/p-1/t16-,20-;/m1./s1
InChIKey
VKBNGRDAHSELMQ-KYSFMIDTSA-M
Chemical Structure
2D Structure
2D structure of Tiquizium Bromide
CAS: 71731-58-3
CID: 72159
Formula: C19H24BrNS2
MW: 410.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight410.4
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Exact Mass409.05335
Monoisotopic Mass409.05335
Topological Polar Surface Area56.5 Ų
Heavy Atom Count23
Formal Charge0
Complexity429
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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