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DV 7028 hydrochloride

CAT: 0931-T22753-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0931-T22753-01Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
133364-62-2
Target
5-HT Receptor, Others
Related Pathways
Others, Neuroscience, GPCR/G Protein
Bioactivity
DV 7028 hydrochloride is a 5-HT2A receptor antagonist.
Smiles
Cl.O=C1N=C2N(C(=O)N1CCN3CCC(C(=O)C4=CC=C(F)C=C4)CC3)CCCC2
Molecular Formula
C21H26ClFN4O3
Molecular Weight
436.91
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

DV 7028 hydrochloride
CAS Number133364-62-2
PubChem CID19746041
IUPAC Name3-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]-6,7,8,9-tetrahydropyrido[1,2-a][1,3,5]triazine-2,4-dione;hydrochloride
Molecular FormulaC21H26ClFN4O3
Molecular Weight436.9
Topological Polar Surface Area73.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count5
Heavy Atom Count30
Formal Charge0
Complexity681
SMILES
C1CCN2C(=NC(=O)N(C2=O)CCN3CCC(CC3)C(=O)C4=CC=C(C=C4)F)C1.Cl
InChI
InChI=1S/C21H25FN4O3.ClH/c22-17-6-4-15(5-7-17)19(27)16-8-11-24(12-9-16)13-14-26-20(28)23-18-3-1-2-10-25(18)21(26)29;/h4-7,16H,1-3,8-14H2;1H
InChIKey
MEULLZRAYZSDGF-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of DV 7028 hydrochloride
CAS: 133364-62-2
CID: 19746041
Formula: C21H26ClFN4O3
MW: 436.9
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight436.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count5
Exact Mass436.1677466
Monoisotopic Mass436.1677466
Topological Polar Surface Area73.3 Ų
Heavy Atom Count30
Formal Charge0
Complexity681
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