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Opiranserin hydrochloride

CAT: 0957-E6699-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0957-E6699-01Size:5 mg
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Description
Opiranserin hydrochloride (VVZ-149 hydrochloride) is a non-opioid and non-NSAID analgesic that acts as a dual antagonist of glycine transporter type 2 (GlyT2) and serotonin receptor 2A (5HT2A), with IC50 of 0.86 μM and 1.3 μM, respectively.
CAS Number
1440796-75-7
Synonyms
VVZ-149 hydrochloride
Molecular Formula
C21H34N2O5.ClH

Chemical Information

Opiranserin hydrochloride
CAS Number1440796-75-7
PubChem CID71566777
IUPAC Name4-butoxy-N-[[4-(dimethylamino)oxan-4-yl]methyl]-3,5-dimethoxybenzamide;hydrochloride
Molecular FormulaC21H35ClN2O5
Molecular Weight431.0
Topological Polar Surface Area69.3
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count10
Heavy Atom Count29
Formal Charge0
Complexity454
SMILES
CCCCOC1=C(C=C(C=C1OC)C(=O)NCC2(CCOCC2)N(C)C)OC.Cl
InChI
InChI=1S/C21H34N2O5.ClH/c1-6-7-10-28-19-17(25-4)13-16(14-18(19)26-5)20(24)22-15-21(23(2)3)8-11-27-12-9-21;/h13-14H,6-12,15H2,1-5H3,(H,22,24);1H
InChIKey
GSCGQHXDHYVKOL-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Opiranserin hydrochloride
CAS: 1440796-75-7
CID: 71566777
Formula: C21H35ClN2O5
MW: 431.0
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight431.0
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count10
Exact Mass430.2234499
Monoisotopic Mass430.2234499
Topological Polar Surface Area69.3 Ų
Heavy Atom Count29
Formal Charge0
Complexity454
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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