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Fadolmidine HCl

CAT: 0013-GTR19209920-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19209920-01Size:25 mg
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Description
Fadolmidine (MPV-2426) is a potent alpha2-adrenoceptor agonist developed for spinal analgesia, demonstrating high affinity and full efficacy at human alpha2-AR subtypes in vitro. It also shows agonist activity at alpha1-adrenoceptors. In vivo, it exhibits potent activity by inhibiting electrically induced tachycardia, supporting its research in neuropharmacology and pain management pathways.
CAS Number
189353-32-0
Smiles
Cl.Oc1ccc2CCC (Cc3cnc[nH]3) c2c1
Molecular Formula
C13H15ClN2O
Molecular Weight
250.72
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Fadolmidine Hydrochloride

See also: Fadolmidine (has active moiety).

CAS Number189353-32-0
PubChem CID6433097
IUPAC Name3-(1H-imidazol-5-ylmethyl)-2,3-dihydro-1H-inden-5-ol;hydrochloride
Molecular FormulaC13H15ClN2O
Molecular Weight250.72
Topological Polar Surface Area48.9
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Heavy Atom Count17
Formal Charge0
Complexity246
SMILES
C1CC2=C(C1CC3=CN=CN3)C=C(C=C2)O.Cl
InChI
InChI=1S/C13H14N2O.ClH/c16-12-4-3-9-1-2-10(13(9)6-12)5-11-7-14-8-15-11;/h3-4,6-8,10,16H,1-2,5H2,(H,14,15);1H
InChIKey
OYKZVKWXOWICFI-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Fadolmidine Hydrochloride
CAS: 189353-32-0
CID: 6433097
Formula: C13H15ClN2O
MW: 250.72
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight250.72
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Exact Mass250.0872908
Monoisotopic Mass250.0872908
Topological Polar Surface Area48.9 Ų
Heavy Atom Count17
Formal Charge0
Complexity246
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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