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Bromadol

CAT: 0804-HY-119914-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-119914-01Size:1 mg
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Description
Bromadol is an opioid.
CAS Number
77239-98-6
UNSPSC
12352005
Target
Opioid Receptor
Related Pathways
GPCR/G Protein; Neuronal Signaling
Field of Research
Neurological Disease
Smiles
BrC1=CC=C([C@]2(CC[C@@](O)(CC2)CCC3=CC=CC=C3)N(C)C)C=C1
Molecular Formula
C22H28BrNO
Molecular Weight
402.37
Shipping Conditions
Room temperature
Scientific Category
Reference compound1
Clinical Information
No Development Reported

Chemical Information

4-(4-Bromophenyl)-4-(dimethylamino)-1-phenethylcyclohexanol

structure

CAS Number77239-98-6
PubChem CID9887338
IUPAC Name4-(4-bromophenyl)-4-(dimethylamino)-1-(2-phenylethyl)cyclohexan-1-ol
Molecular FormulaC22H28BrNO
Molecular Weight402.4
XLogP5
Topological Polar Surface Area23.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count5
Heavy Atom Count25
Formal Charge0
Complexity402
SMILES
CN(C)C1(CCC(CC1)(CCC2=CC=CC=C2)O)C3=CC=C(C=C3)Br
InChI
InChI=1S/C22H28BrNO/c1-24(2)22(19-8-10-20(23)11-9-19)16-14-21(25,15-17-22)13-12-18-6-4-3-5-7-18/h3-11,25H,12-17H2,1-2H3
InChIKey
PRSUTWWKYIVBEU-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 4-(4-Bromophenyl)-4-(dimethylamino)-1-phenethylcyclohexanol
CAS: 77239-98-6
CID: 9887338
Formula: C22H28BrNO
MW: 402.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight402.4
XLogP35
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count5
Exact Mass401.13543
Monoisotopic Mass401.13543
Topological Polar Surface Area23.5 Ų
Heavy Atom Count25
Formal Charge0
Complexity402
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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