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Reproterol hydrochloride

CAT: 0931-T28519-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0931-T28519-01Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
13055-82-8
Target
Others, PDE, Adrenergic Receptor
Related Pathways
Neuroscience, GPCR/G Protein, Metabolism, Others
Bioactivity
Reproterol hydrochloride, a β2 adrenoreceptor agonist, is used to treat asthma and chronic obstructive pulmonary disease (COPD) .
Smiles
Cl.O=C1C2=C(N=CN2CCCNCC(O)C=3C=C(O)C=C(O)C3)N(C(=O)N1C)C
Molecular Formula
C18H24ClN5O5
Molecular Weight
425.87
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Reproterol Hydrochloride

See also: Reproterol (has active moiety).

CAS Number13055-82-8
PubChem CID3032600
IUPAC Name7-[3-[[2-(3,5-dihydroxyphenyl)-2-hydroxyethyl]amino]propyl]-1,3-dimethylpurine-2,6-dione;hydrochloride
Molecular FormulaC18H24ClN5O5
Molecular Weight425.9
Topological Polar Surface Area131
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count7
Rotatable Bond Count7
Heavy Atom Count29
Formal Charge0
Complexity569
SMILES
CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CCCNCC(C3=CC(=CC(=C3)O)O)O.Cl
InChI
InChI=1S/C18H23N5O5.ClH/c1-21-16-15(17(27)22(2)18(21)28)23(10-20-16)5-3-4-19-9-14(26)11-6-12(24)8-13(25)7-11;/h6-8,10,14,19,24-26H,3-5,9H2,1-2H3;1H
InChIKey
XSFWDHONRBZVEJ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Reproterol Hydrochloride
CAS: 13055-82-8
CID: 3032600
Formula: C18H24ClN5O5
MW: 425.9
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight425.9
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count7
Rotatable Bond Count7
Exact Mass425.1465966
Monoisotopic Mass425.1465966
Topological Polar Surface Area131 Ų
Heavy Atom Count29
Formal Charge0
Complexity569
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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Alternative Products

CatalogName
HY-123008Reproterol (hydrochloride)
MBS5778197Reproterol hydrochloride
HY-123008RReproterol (hydrochloride) (Standard)
HY-135490-01Reproterol
AR-R10683-01Reproterol-d6
HY-W759997Reproterol-d3
AR-R10684-01N-Nitroso Reproterol
TRC-R144652-1MGReproterol-d3 (Major)
TRC-O861860-25MG2-Oxo Reproterol Tribenzyl
AR-R10685-01N-Nitroso Reproterol-d6

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