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Cinanserin

CAT: 1299-RM-C091400-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:1299-RM-C091400-01Size:10 mg
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CAS Number
1166-34-3
Synonyms
N- (2- ((3- (dimethylamino) propyl) thio) phenyl) cinnamamide
Molecular Formula
C20H24N2OS
Molecular Weight
340.48
Target Alternative Name
Cinanserin
Product Name Synonym
N- (2- ((3- (dimethylamino) propyl) thio) phenyl) cinnamamide

Chemical Information

Cinanserin

Cinanserin is an aryl sulfide that is (2E)-3-phenyl-N-(2-sulfanylphenyl)prop-2-enamide in which the hydrogen of the thiol group is substituted by a 3-(dimethylamino)propyl group. It is a 5-hydroxytryptamine receptor antagonist and an inhibitor of SARS-CoV replication. It has a role as an EC 3.4.22.69 (SARS coronavirus main proteinase) inhibitor, an anticoronaviral agent and an antiviral agent. It is a secondary carboxamide, a member of cinnamamides, an aryl sulfide and a tertiary amino compound. It is a conjugate base of a cinanserin(1+).

CAS Number1166-34-3
PubChem CID5475158
IUPAC Name(E)-N-[2-[3-(dimethylamino)propylsulfanyl]phenyl]-3-phenylprop-2-enamide
Molecular FormulaC20H24N2OS
Molecular Weight340.5
XLogP4.1
Topological Polar Surface Area57.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count8
Heavy Atom Count24
Formal Charge0
Complexity391
SMILES
CN(C)CCCSC1=CC=CC=C1NC(=O)/C=C/C2=CC=CC=C2
InChI
InChI=1S/C20H24N2OS/c1-22(2)15-8-16-24-19-12-7-6-11-18(19)21-20(23)14-13-17-9-4-3-5-10-17/h3-7,9-14H,8,15-16H2,1-2H3,(H,21,23)/b14-13+
InChIKey
RSUVYMGADVXGOU-BUHFOSPRSA-N
Chemical Structure
2D Structure
2D structure of Cinanserin
CAS: 1166-34-3
CID: 5475158
Formula: C20H24N2OS
MW: 340.5
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight340.5
XLogP34.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count8
Exact Mass340.16093457
Monoisotopic Mass340.16093457
Topological Polar Surface Area57.6 Ų
Heavy Atom Count24
Formal Charge0
Complexity391
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
HY-133828Cinanserin
BUP04180-01Cinanserin hydrochloride
562891Cinanserin HCl
HY-100943-01Cinanserin (hydrochloride)
HY-100943RCinanserin (hydrochloride) (Standard)

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