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Bronchospasmolytic agent 1

CAT: 0931-T13523-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0931-T13523-02Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
63516-10-9
Target
Others
Related Pathways
Others
Bioactivity
Bronchospasmolytic agent 1 is a flutropium bromide compound and acts as a bronchospasmolytic agent.
Smiles
C(C(O[C@H]1C[C@@H]2[N@@+](CCF)(C)[C@H](C1)CC2)=O)(O)(C3=CC=CC=C3)C4=CC=CC=C4.[Br-]
Molecular Formula
C24H29BrFNO3
Molecular Weight
478.39
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Flutropium bromide

Flutropium bromide is the organic bromide salt of flutropium. It is used in Japan for the treatment asthma and chronic obstructive pulmonary disease. It has a role as a muscarinic antagonist, an anti-asthmatic drug and an antispasmodic drug. It contains a flutropium.

CAS Number63516-10-9
PubChem CID656602
IUPAC Name[(1S,5R)-8-(2-fluoroethyl)-8-methyl-8-azoniabicyclo[3.2.1]octan-3-yl] 2-hydroxy-2,2-diphenylacetate bromide
Molecular FormulaC24H29BrFNO3
Molecular Weight478.4
Topological Polar Surface Area46.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count7
Heavy Atom Count30
Formal Charge0
Complexity538
SMILES
C[N+]1([C@@H]2CC[C@H]1CC(C2)OC(=O)C(C3=CC=CC=C3)(C4=CC=CC=C4)O)CCF.[Br-]
InChI
InChI=1S/C24H29FNO3.BrH/c1-26(15-14-25)20-12-13-21(26)17-22(16-20)29-23(27)24(28,18-8-4-2-5-9-18)19-10-6-3-7-11-19;/h2-11,20-22,28H,12-17H2,1H3;1H/q+1;/p-1/t20-,21+,22?,26?;
InChIKey
FNUZASGZEHGWQM-QCERWEEGSA-M
Chemical Structure
2D Structure
2D structure of Flutropium bromide
CAS: 63516-10-9
CID: 656602
Formula: C24H29BrFNO3
MW: 478.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight478.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count7
Exact Mass477.13148
Monoisotopic Mass477.13148
Topological Polar Surface Area46.5 Ų
Heavy Atom Count30
Formal Charge0
Complexity538
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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