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Butopamine hydrochloride

CAT: 0931-T201508-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0931-T201508-01Size:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
74432-68-1
Target
Adrenergic Receptor
Related Pathways
Neuroscience, GPCR/G Protein
Bioactivity
Butopamine hydrochloride is an orally active inotropic compound that is more effective at increasing heart rate compared to Dobutamine.
Smiles
[C@@H](CN[C@@H](CCC1=CC=C(O)C=C1)C)(O)C2=CC=C(O)C=C2.Cl
Molecular Formula
C18H24ClNO3
Molecular Weight
337.84
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Butopamine hydrochloride
CAS Number74432-68-1
PubChem CID51051625
IUPAC Name4-[(3R)-3-[[(2R)-2-hydroxy-2-(4-hydroxyphenyl)ethyl]amino]butyl]phenol;hydrochloride
Molecular FormulaC18H24ClNO3
Molecular Weight337.8
Topological Polar Surface Area72.7
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count4
Rotatable Bond Count7
Heavy Atom Count23
Formal Charge0
Complexity297
SMILES
C[C@H](CCC1=CC=C(C=C1)O)NC[C@@H](C2=CC=C(C=C2)O)O.Cl
InChI
InChI=1S/C18H23NO3.ClH/c1-13(2-3-14-4-8-16(20)9-5-14)19-12-18(22)15-6-10-17(21)11-7-15;/h4-11,13,18-22H,2-3,12H2,1H3;1H/t13-,18+;/m1./s1
InChIKey
JHGSLSLUFMZUMK-WJKBNZMCSA-N
Chemical Structure
2D Structure
2D structure of Butopamine hydrochloride
CAS: 74432-68-1
CID: 51051625
Formula: C18H24ClNO3
MW: 337.8
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight337.8
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count4
Rotatable Bond Count7
Exact Mass337.1444713
Monoisotopic Mass337.1444713
Topological Polar Surface Area72.7 Ų
Heavy Atom Count23
Formal Charge0
Complexity297
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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