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Bromadoline

CAT: 0013-GTR19250459-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19250459-01Size:1 mg
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Description
Bromadoline is a synthetic opioid ligand used in pharmacological research to study pain pathways. It demonstrates potent analgesic effects in murine in vivo models and is utilized in vitro for receptor binding and functional assays investigating opioid receptor signaling.
CAS Number
67579-24-2
Field of Research
Metabolism Research, Neuroscience, Pharmacology & Drug Discovery
Smiles
N (C (=O) C1=CC=C (Br) C=C1) [C@H]2[C@H] (N (C) C) CCCC2
Molecular Formula
C15H21BrN2O
Molecular Weight
325.244
Storage Conditions
-20°C
Notes
For research use only.

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
T204210-01Bromadoline
T26908-01Bromadoline maleate
HY-121854ABromadoline (maleate)

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