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α2C adrenoceptor agonist 1

CAT: 0013-GTR19234542-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19234542-01Size:25 mg
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Description
Compound A is a peripherally restricted, highly selective α2C-adrenoceptor agonist (Ki=12 nM) used in research. It serves as a key pharmacological tool for studying receptor function in models of nasal congestion, supporting both in vitro binding assays and in vivo efficacy experiments.
CAS Number
928115-79-1
Field of Research
Neuroscience, Pharmacology & Drug Discovery
Smiles
C (N1C=2C (=CC=C (N (C (NC) =O) CC) C2) OCC1) C3=CN=CN3
Molecular Formula
C16H21N5O2
Molecular Weight
315.37
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

1-ethyl-1-[4-(1H-imidazol-5-ylmethyl)-2,3-dihydro-1,4-benzoxazin-6-yl]-3-methylurea
CAS Number928115-79-1
PubChem CID23729195
IUPAC Name1-ethyl-1-[4-(1H-imidazol-5-ylmethyl)-2,3-dihydro-1,4-benzoxazin-6-yl]-3-methylurea
Molecular FormulaC16H21N5O2
Molecular Weight315.37
XLogP1
Topological Polar Surface Area73.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count4
Heavy Atom Count23
Formal Charge0
Complexity408
SMILES
CCN(C1=CC2=C(C=C1)OCCN2CC3=CN=CN3)C(=O)NC
InChI
InChI=1S/C16H21N5O2/c1-3-21(16(22)17-2)13-4-5-15-14(8-13)20(6-7-23-15)10-12-9-18-11-19-12/h4-5,8-9,11H,3,6-7,10H2,1-2H3,(H,17,22)(H,18,19)
InChIKey
WERQIVWSJIEUTO-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 1-ethyl-1-[4-(1H-imidazol-5-ylmethyl)-2,3-dihydro-1,4-benzoxazin-6-yl]-3-methylurea
CAS: 928115-79-1
CID: 23729195
Formula: C16H21N5O2
MW: 315.37
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight315.37
XLogP31
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count4
Exact Mass315.16952493
Monoisotopic Mass315.16952493
Topological Polar Surface Area73.5 Ų
Heavy Atom Count23
Formal Charge0
Complexity408
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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