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DA-8031

CAT: 0013-GTR19240451-01Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19240451-01Size:50 mg
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Description
DA-8031 is a selective, orally bioavailable serotonin reuptake inhibitor used in preclinical research for premature ejaculation (PE) . Its application extends to in vitro binding assays and in vivo behavioral models to study serotonergic control of ejaculatory latency.
CAS Number
1148027-74-0
Field of Research
Neuroscience
Smiles
N#CC1=CC=C2C (=C1) COC2 (C3=CC=C (OC) C=C3) CCCN (C) C
Molecular Formula
C21H24N2O2
Molecular Weight
336.43
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Da-8031

DA-8031 is under investigation in clinical trial NCT01798667 (Clinical Trial to Evaluate the Efficacy and Safety of DA-8031 in Male Patients With Premature Ejaculation).

CAS Number1148027-74-0
PubChem CID42606390
IUPAC Name1-[3-(dimethylamino)propyl]-1-(4-methoxyphenyl)-3H-2-benzofuran-5-carbonitrile
Molecular FormulaC21H24N2O2
Molecular Weight336.4
XLogP3.1
Topological Polar Surface Area45.5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count6
Heavy Atom Count25
Formal Charge0
Complexity478
SMILES
CN(C)CCCC1(C2=C(CO1)C=C(C=C2)C#N)C3=CC=C(C=C3)OC
InChI
InChI=1S/C21H24N2O2/c1-23(2)12-4-11-21(18-6-8-19(24-3)9-7-18)20-10-5-16(14-22)13-17(20)15-25-21/h5-10,13H,4,11-12,15H2,1-3H3
InChIKey
RCMIUWUYNFSCAE-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Da-8031
CAS: 1148027-74-0
CID: 42606390
Formula: C21H24N2O2
MW: 336.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight336.4
XLogP33.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count6
Exact Mass336.183778013
Monoisotopic Mass336.183778013
Topological Polar Surface Area45.5 Ų
Heavy Atom Count25
Formal Charge0
Complexity478
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

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