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BRL 37344 sodium

CAT: 0931-T10613-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0931-T10613-01Size:1 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
127299-93-8
Target
Adrenergic Receptor, Others
Related Pathways
Others, GPCR/G Protein, Neuroscience
Bioactivity
BRL 37344 sodium is a specific agonist of the β3-adrenergic receptor. The treatment of BRL 37344 sodium significantly lowers the bodyweight of obese mice.
Smiles
[Na+].C[C@H](Cc1ccc(OCC([O-])=O)cc1)NC[C@H](O)c1cccc(Cl)c1
Molecular Formula
C19H22ClNNaO4
Molecular Weight
386.83
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

BRL-37344 sodium
CAS Number127299-93-8
PubChem CID16219010
IUPAC Namesodium 2-[4-[(2R)-2-[[(2R)-2-(3-chlorophenyl)-2-hydroxyethyl]amino]propyl]phenoxy]acetate
Molecular FormulaC19H21ClNNaO4
Molecular Weight385.8
Topological Polar Surface Area81.6
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count9
Heavy Atom Count26
Formal Charge0
Complexity407
SMILES
C[C@H](CC1=CC=C(C=C1)OCC(=O)[O-])NC[C@@H](C2=CC(=CC=C2)Cl)O.[Na+]
InChI
InChI=1S/C19H22ClNO4.Na/c1-13(21-11-18(22)15-3-2-4-16(20)10-15)9-14-5-7-17(8-6-14)25-12-19(23)24;/h2-8,10,13,18,21-22H,9,11-12H2,1H3,(H,23,24);/q;+1/p-1/t13-,18+;/m1./s1
InChIKey
SNJIJYKMYQRHRC-WJKBNZMCSA-M
Chemical Structure
2D Structure
2D structure of BRL-37344 sodium
CAS: 127299-93-8
CID: 16219010
Formula: C19H21ClNNaO4
MW: 385.8
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight385.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count9
Exact Mass385.1056801
Monoisotopic Mass385.1056801
Topological Polar Surface Area81.6 Ų
Heavy Atom Count26
Formal Charge0
Complexity407
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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