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Bromadoline

CAT: 0804-HY-121854-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-121854-01Size:1 mg
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Description
Bromadoline is a utopioid with antinociceptive activity in rodents[1].
CAS Number
67579-24-2
UNSPSC
12352005
Target
Opioid Receptor
Related Pathways
GPCR/G Protein; Neuronal Signaling
Field of Research
Neurological Disease
Smiles
O=C(N[C@H]1[C@H](N(C)C)CCCC1)C2=CC=C(Br)C=C2
Molecular Formula
C15H21BrN2O
Molecular Weight
325.24
References & Citations
[1]Hayes AG, et al. Differential sensitivity of models of antinociception in the rat, mouse and guinea-pig to mu- and kappa-opioid receptor agonists. Br J Pharmacol. 1987 Aug;91 (4) :823-32.
Shipping Conditions
Room temperature
Scientific Category
Reference compound1
Clinical Information
No Development Reported

Chemical Information

Bromadoline

structure given in first source

CAS Number67579-24-2
PubChem CID54753
IUPAC Name4-bromo-N-[(1S,2S)-2-(dimethylamino)cyclohexyl]benzamide
Molecular FormulaC15H21BrN2O
Molecular Weight325.24
XLogP3.3
Topological Polar Surface Area32.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count3
Heavy Atom Count19
Formal Charge0
Complexity301
SMILES
CN(C)[C@H]1CCCC[C@@H]1NC(=O)C2=CC=C(C=C2)Br
InChI
InChI=1S/C15H21BrN2O/c1-18(2)14-6-4-3-5-13(14)17-15(19)11-7-9-12(16)10-8-11/h7-10,13-14H,3-6H2,1-2H3,(H,17,19)/t13-,14-/m0/s1
InChIKey
UFDJFJYMMIZKLG-KBPBESRZSA-N
Chemical Structure
2D Structure
2D structure of Bromadoline
CAS: 67579-24-2
CID: 54753
Formula: C15H21BrN2O
MW: 325.24
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight325.24
XLogP33.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count3
Exact Mass324.08373
Monoisotopic Mass324.08373
Topological Polar Surface Area32.3 Ų
Heavy Atom Count19
Formal Charge0
Complexity301
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
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T26908-01Bromadoline maleate

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