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Sofpironium bromide

CAT: 0013-GTR19172257-07Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19172257-07Size:100 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
Sofpironium bromide
CAS Number
1628106-94-4
Product Name Alternative
CYP2D6, CYP3A4, anticholinergic, BBI 4000, BBI4000, BBI-4000, inhibit, Muscarinic acetylcholine receptor, muscarinic, mAChR, Inhibitor, hyperhidrosis, Sofpironium, Sofpironium bromide, Sofpironium Bromide
Field of Research
Neuroscience, Pharmacology & Drug Discovery
Purity
98.04% (May vary between batches)
Solubility
DMSO:95 mg/mL (201.96 mM) ;10% DMSO+40% PEG300+5% Tween 80+45% Saline:3.3 mg/mL (7.02 mM)
Smiles
[Br-].CCOC (=O) C[N+]1 (C) CC[C@H] (C1) OC (=O) [C@@] (O) (C1CCCC1) c1ccccc1
Molecular Formula
C22H32BrNO5
Molecular Weight
470.4
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Sofpironium Bromide
CAS Number1628106-94-4
PubChem CID86301316
IUPAC Name[(3R)-1-(2-ethoxy-2-oxoethyl)-1-methylpyrrolidin-1-ium-3-yl] (2R)-2-cyclopentyl-2-hydroxy-2-phenylacetate bromide
Molecular FormulaC22H32BrNO5
Molecular Weight470.4
Topological Polar Surface Area72.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count9
Heavy Atom Count29
Formal Charge0
Complexity555
SMILES
CCOC(=O)C[N+]1(CC[C@H](C1)OC(=O)[C@@](C2CCCC2)(C3=CC=CC=C3)O)C.[Br-]
InChI
InChI=1S/C22H32NO5.BrH/c1-3-27-20(24)16-23(2)14-13-19(15-23)28-21(25)22(26,18-11-7-8-12-18)17-9-5-4-6-10-17;/h4-6,9-10,18-19,26H,3,7-8,11-16H2,1-2H3;1H/q+1;/p-1/t19-,22+,23?;/m1./s1
InChIKey
FIAFMTCUJCWADZ-JOFREBOKSA-M
Chemical Structure
2D Structure
2D structure of Sofpironium Bromide
CAS: 1628106-94-4
CID: 86301316
Formula: C22H32BrNO5
MW: 470.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight470.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count9
Exact Mass469.14639
Monoisotopic Mass469.14639
Topological Polar Surface Area72.8 Ų
Heavy Atom Count29
Formal Charge0
Complexity555
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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