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Drofenine

CAT: 0013-GTR19209705-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19209705-02Size:50 mg
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Description
Drofenin is a neurotropic and musculotropic anticholinergic anticonvulsant that also functions as a functional inhibitor of acid sphingomyelinase (FIASMA) . It is used in research to investigate cholinergic mechanisms and sphingolipid metabolism in neurological disorders, with applications in both in vitro and in vivo experimental models.
CAS Number
1679-76-1
Field of Research
Neuroscience, Pharmacology & Drug Discovery
Smiles
C (C (OCCN (CC) CC) =O) (C1CCCCC1) C2=CC=CC=C2
Molecular Formula
C20H31NO2
Molecular Weight
317.47
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Drofenine

2-cyclohexyl-2-phenylacetic acid 2-(diethylamino)ethyl ester is a member of benzenes.

CAS Number1679-76-1
PubChem CID3166
IUPAC Name2-(diethylamino)ethyl 2-cyclohexyl-2-phenylacetate
Molecular FormulaC20H31NO2
Molecular Weight317.5
XLogP5.3
Topological Polar Surface Area29.5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count9
Heavy Atom Count23
Formal Charge0
Complexity329
SMILES
CCN(CC)CCOC(=O)C(C1CCCCC1)C2=CC=CC=C2
InChI
InChI=1S/C20H31NO2/c1-3-21(4-2)15-16-23-20(22)19(17-11-7-5-8-12-17)18-13-9-6-10-14-18/h5,7-8,11-12,18-19H,3-4,6,9-10,13-16H2,1-2H3
InChIKey
AGJBLWCLQCKRJP-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Drofenine
CAS: 1679-76-1
CID: 3166
Formula: C20H31NO2
MW: 317.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight317.5
XLogP35.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count9
Exact Mass317.235479232
Monoisotopic Mass317.235479232
Topological Polar Surface Area29.5 Ų
Heavy Atom Count23
Formal Charge0
Complexity329
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
T70282-01Drofenine
sc-234845Drofenine hydrochloride
MBS577081Drofenine HCl
HY-B1239-01Drofenine (hydrochloride)
A17724-50Drofenine Hydrochloride 50mg
447716Drofenine Hydrochloride-d4
A17724-25Drofenine Hydrochloride 25mg
A17724-100Drofenine Hydrochloride 100mg

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