Drofenine

CAT: 0931-T70282-01Size: 25 mgDry Ice: NoHazardous: No

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CAT#:0931-T70282-01Size:25 mg

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CAS Number

1679-76-1

Target

Cholinesterase (ChE), Others

Related Pathways

Others, Neuroscience

Bioactivity

Drofenin is an anticonvulsant. It is an anticholinergic that acts both at the level of the nerves and the muscle fibers (neurotropic musculotropic effect) . Drofenin also acts as FIASMA (functional inhibitor of acid sphingomyelinase)

Smiles

C(C(OCCN(CC)CC)=O)(C1CCCCC1)C2=CC=CC=C2

Molecular Formula

C20H31NO2

Molecular Weight

317.47

Shipping Conditions

Ice Packs

Storage Temperature

-20°C

Chemical Information

Drofenine

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

CAS Number	1679-76-1
PubChem CID	3166
IUPAC Name	2-(diethylamino)ethyl 2-cyclohexyl-2-phenylacetate
Molecular Formula	C20H31NO2
Molecular Weight	317.5
XLogP	5.3
Topological Polar Surface Area	29.5
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	9
Heavy Atom Count	23
Formal Charge	0
Complexity	329

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

CAS: 1679-76-1

CID: 3166

Formula: C20H31NO2

MW: 317.5

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	317.5
XLogP3	5.3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	9
Exact Mass	317.235479232
Monoisotopic Mass	317.235479232
Topological Polar Surface Area	29.5 Å²
Heavy Atom Count	23
Formal Charge	0
Complexity	329
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Alternative Products

Catalog	Name
GTR19209705-01	Drofenine
sc-234845	Drofenine hydrochloride
MBS577081	Drofenine HCl
HY-B1239-01	Drofenine (hydrochloride)
A17724-50	Drofenine Hydrochloride 50mg
447716	Drofenine Hydrochloride-d4
A17724-25	Drofenine Hydrochloride 25mg
A17724-100	Drofenine Hydrochloride 100mg

Drofenine

Chemical Information

Alternative Products

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