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Talampanel

CAT: 0607-BA2994-100Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0607-BA2994-100Size:100 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
161832-65-1
Form
A solid
Molecular Formula
C19H19N3O3
Molecular Weight
337.37
Shipping Conditions
Blue ice
Storage Conditions
-20°C.

Chemical Information

Talampanel

Talampanel is a member of benzodioxoles.

CAS Number161832-65-1
PubChem CID164509
IUPAC Name1-[(8R)-5-(4-aminophenyl)-8-methyl-8,9-dihydro-[1,3]dioxolo[4,5-h][2,3]benzodiazepin-7-yl]ethanone
Molecular FormulaC19H19N3O3
Molecular Weight337.4
XLogP2.7
Topological Polar Surface Area77.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count1
Heavy Atom Count25
Formal Charge0
Complexity544
SMILES
C[C@@H]1CC2=CC3=C(C=C2C(=NN1C(=O)C)C4=CC=C(C=C4)N)OCO3
InChI
InChI=1S/C19H19N3O3/c1-11-7-14-8-17-18(25-10-24-17)9-16(14)19(21-22(11)12(2)23)13-3-5-15(20)6-4-13/h3-6,8-9,11H,7,10,20H2,1-2H3/t11-/m1/s1
InChIKey
JACAAXNEHGBPOQ-LLVKDONJSA-N
Chemical Structure
2D Structure
2D structure of Talampanel
CAS: 161832-65-1
CID: 164509
Formula: C19H19N3O3
MW: 337.4
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight337.4
XLogP32.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count1
Exact Mass337.14264148
Monoisotopic Mass337.14264148
Topological Polar Surface Area77.2 Ų
Heavy Atom Count25
Formal Charge0
Complexity544
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes