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SYM 2206

CAT: 0607-B6524-10Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0607-B6524-10Size:10 mg
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Description
AMPA receptor antagonist
CAS Number
173952-44-8
Product Name Alternative
(S)-8-(4-aminophenyl)-5-methyl-N-propyl-[1,3]dioxolo[4,5-g]phthalazine-6(5H)-carboxamide
Field of Research
Membrane Transporter Ion Channel AMPAR
Purity
0.98
Form
White solid
Solubility
Soluble in DMSO
Smiles
O=C(NCCC)N([C@@H](C)C1=C2)N=C(C(C=C3)=CC=C3N)C1=CC4=C2OCO4
Molecular Formula
C20H22N4O3
Molecular Weight
366.42
Shipping Conditions
Blue ice
Storage Conditions
Store at RT.

Chemical Information

8-(4-aminophenyl)-5-methyl-N-propyl-5H-[1,3]dioxolo[4,5-g]phthalazine-6-carboxamide

8-(4-aminophenyl)-5-methyl-N-propyl-5H-[1,3]dioxolo[4,5-g]phthalazine-6-carboxamide is a member of phthalazines.

CAS Number173952-44-8
PubChem CID5039877
IUPAC Name8-(4-aminophenyl)-5-methyl-N-propyl-5H-[1,3]dioxolo[4,5-g]phthalazine-6-carboxamide
Molecular FormulaC20H22N4O3
Molecular Weight366.4
XLogP3
Topological Polar Surface Area89.2
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count3
Heavy Atom Count27
Formal Charge0
Complexity576
SMILES
CCCNC(=O)N1C(C2=CC3=C(C=C2C(=N1)C4=CC=C(C=C4)N)OCO3)C
InChI
InChI=1S/C20H22N4O3/c1-3-8-22-20(25)24-12(2)15-9-17-18(27-11-26-17)10-16(15)19(23-24)13-4-6-14(21)7-5-13/h4-7,9-10,12H,3,8,11,21H2,1-2H3,(H,22,25)
InChIKey
OFUDZKKOKPGXOH-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 8-(4-aminophenyl)-5-methyl-N-propyl-5H-[1,3]dioxolo[4,5-g]phthalazine-6-carboxamide
CAS: 173952-44-8
CID: 5039877
Formula: C20H22N4O3
MW: 366.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight366.4
XLogP33
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count3
Exact Mass366.16919058
Monoisotopic Mass366.16919058
Topological Polar Surface Area89.2 Ų
Heavy Atom Count27
Formal Charge0
Complexity576
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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