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Colterol (hydrochloride)

CAT: 0804-HY-128510A-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-128510A-01Size:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
Colterol hydrochloride is the hydrochloride salt form of Colterol. Colterol hydrochloride is the agonist for adrenergic receptor, and exhibits good affinity to β1-adrenoreceptor (heart) and β2-adrenoreceptor (lung) with IC50 of 645 nM and 147 nM. Colterol hydrochloride exhibits potential as a bronchodilator[1][2].
CAS Number
52872-37-4
UNSPSC
12352005
Target
Adrenergic Receptor
Related Pathways
GPCR/G Protein; Neuronal Signaling
Field of Research
Cardiovascular Disease
Smiles
OC1=CC=C(C=C1O)C(CNC(C)(C)C)O.Cl
Molecular Formula
C12H20ClNO3
Molecular Weight
261.75
References & Citations
[1]Kusayama T, et al., Binding of a catechol derivative of denopamine (T-0509) and N-tert-butylnoradrenaline (Colterol) to beta 1- and beta 2-adrenoceptors. Biol Pharm Bull. 1994 Aug;17 (8) :1023-7. |[2]Kusayama T, et al., Binding of a catechol derivative of denopamine (T-0509) and N-tert-butylnoradrenaline (Colterol) to beta 1- and beta 2-adrenoceptors. Biol Pharm Bull. 1994 Aug;17 (8) :1023-7. |[3]Walker SB, et al., Bitolterol mesylate: a beta-adrenergic agent. Chemistry, pharmacokinetics, pharmacodynamics, adverse effects and clinical efficacy in asthma. Pharmacotherapy. 1985 May-Jun;5 (3) :127-37.
Shipping Conditions
Room temperature
Scientific Category
Reference compound1
Clinical Information
No Development Reported

Chemical Information

Colterol hydrochloride
CAS Number52872-37-4
PubChem CID71314579
IUPAC Name4-[2-(tert-butylamino)-1-hydroxyethyl]benzene-1,2-diol;hydrochloride
Molecular FormulaC12H20ClNO3
Molecular Weight261.74
Topological Polar Surface Area72.7
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count4
Rotatable Bond Count4
Heavy Atom Count17
Formal Charge0
Complexity215
SMILES
CC(C)(C)NCC(C1=CC(=C(C=C1)O)O)O.Cl
InChI
InChI=1S/C12H19NO3.ClH/c1-12(2,3)13-7-11(16)8-4-5-9(14)10(15)6-8;/h4-6,11,13-16H,7H2,1-3H3;1H
InChIKey
GWQNMEFTYFDDKD-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Colterol hydrochloride
CAS: 52872-37-4
CID: 71314579
Formula: C12H20ClNO3
MW: 261.74
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight261.74
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count4
Rotatable Bond Count4
Exact Mass261.1131712
Monoisotopic Mass261.1131712
Topological Polar Surface Area72.7 Ų
Heavy Atom Count17
Formal Charge0
Complexity215
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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