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Brombuterol hydrochloride

CAT: 0931-T37848Size: 2 mgDry Ice: NoHazardous: No
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CAT#:0931-T37848Size:2 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
21912-49-2
Target
Others, Adrenergic Receptor
Related Pathways
GPCR/G Protein, Neuroscience, Others
Bioactivity
Brombuterol is an agonist of the β2-adrenergic receptor (β2-AR) .1It has been used as an illicit feed additive to increase the muscle-to-fat ratio of livestock.
Smiles
Cl.CC(C)(C)NCC(O)c1cc(Br)c(N)c(Br)c1
Molecular Formula
C12H19Br2ClN2O
Molecular Weight
402.56
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Brombuterol hydrochloride
CAS Number21912-49-2
PubChem CID57369603
IUPAC Name1-(4-amino-3,5-dibromophenyl)-2-(tert-butylamino)ethanol;hydrochloride
Molecular FormulaC12H19Br2ClN2O
Molecular Weight402.55
Topological Polar Surface Area58.3
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count3
Rotatable Bond Count4
Heavy Atom Count18
Formal Charge0
Complexity233
SMILES
CC(C)(C)NCC(C1=CC(=C(C(=C1)Br)N)Br)O.Cl
InChI
InChI=1S/C12H18Br2N2O.ClH/c1-12(2,3)16-6-10(17)7-4-8(13)11(15)9(14)5-7;/h4-5,10,16-17H,6,15H2,1-3H3;1H
InChIKey
XGPFKIAOVSGRSY-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Brombuterol hydrochloride
CAS: 21912-49-2
CID: 57369603
Formula: C12H19Br2ClN2O
MW: 402.55
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight402.55
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count3
Rotatable Bond Count4
Exact Mass401.95322
Monoisotopic Mass399.95527
Topological Polar Surface Area58.3 Ų
Heavy Atom Count18
Formal Charge0
Complexity233
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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