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Atopaxar hydrochloride

CAT: 0931-T1986L2-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0931-T1986L2-01Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
474544-83-7
Target
Protease-activated Receptor, JAK, Others, Apoptosis
Related Pathways
Others, Chromatin/Epigenetic, GPCR/G Protein, Tyrosine Kinase/Adaptors, JAK/STAT signaling, Stem Cells, Apoptosis, Angiogenesis
Bioactivity
Atopaxar hydrochloride is used in the Treatment of Cardiovascular Disorders.
Smiles
Cl.CCOc1cc2CN(CC(=O)c3cc(N4CCOCC4)c(OC)c(c3)C(C)(C)C)C(=N)c2c(F)c1OCC
Molecular Formula
C29H39ClFN3O5
Molecular Weight
564.1
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Atopaxar Hydrochloride

See also: Atopaxar (has active moiety).

CAS Number474544-83-7
PubChem CID67136661
IUPAC Name1-(3-tert-butyl-4-methoxy-5-morpholin-4-ylphenyl)-2-(5,6-diethoxy-4-fluoro-3-imino-1H-isoindol-2-yl)ethanone;hydrochloride
Molecular FormulaC29H39ClFN3O5
Molecular Weight564.1
Topological Polar Surface Area84.3
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count8
Rotatable Bond Count10
Heavy Atom Count39
Formal Charge0
Complexity817
SMILES
CCOC1=C(C(=C2C(=C1)CN(C2=N)CC(=O)C3=CC(=C(C(=C3)N4CCOCC4)OC)C(C)(C)C)F)OCC.Cl
InChI
InChI=1S/C29H38FN3O5.ClH/c1-7-37-23-15-19-16-33(28(31)24(19)25(30)27(23)38-8-2)17-22(34)18-13-20(29(3,4)5)26(35-6)21(14-18)32-9-11-36-12-10-32;/h13-15,31H,7-12,16-17H2,1-6H3;1H
InChIKey
DUUYZYAKJMJYJV-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Atopaxar Hydrochloride
CAS: 474544-83-7
CID: 67136661
Formula: C29H39ClFN3O5
MW: 564.1
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight564.1
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count8
Rotatable Bond Count10
Exact Mass563.2562272
Monoisotopic Mass563.2562272
Topological Polar Surface Area84.3 Ų
Heavy Atom Count39
Formal Charge0
Complexity817
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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Alternative Products

CatalogName
GTR19202602-01Atopaxar hydrochloride
HY-18200AAtopaxar (hydrochloride)
BA5753-5Atopaxar
BUP00228Atopaxar Hydrobromide
HY-18200BAtopaxar (hydrobromide)

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