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Dipicrylamine Sodium Salt

CAT: 0013-GTR19194659-01Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19194659-01Size:50 mg
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Description
Dipicrylamine sodium salt is a potent and selective GABAA receptor antagonist. It is a valuable research tool for investigating GABAergic neurotransmission in both in vitro electrophysiology studies and in vivo models of neurological function.
CAS Number
13474-21-0
Smiles
[Na].O=N (=O) c1cc (c (Nc2c (cc (cc2N (=O) =O) N (=O) =O) N (=O) =O) c (c1) N (=O) =O) N (=O) =O
Molecular Formula
C12H5N7NaO12
Molecular Weight
462.199
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Sodium 2,4,6-trinitro-N-(2,4,6-trinitrophenyl)benzen-1-aminide

See also: Dipicrylamine Sodium Salt (contains 10% Water) (annotation moved to).

CAS Number13474-21-0
PubChem CID53384514
IUPAC Namesodium bis(2,4,6-trinitrophenyl)azanide
Molecular FormulaC12H4N7NaO12
Molecular Weight461.19
Topological Polar Surface Area276
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count13
Rotatable Bond Count2
Heavy Atom Count32
Formal Charge0
Complexity662
SMILES
C1=C(C=C(C(=C1[N+](=O)[O-])[N-]C2=C(C=C(C=C2[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-].[Na+]
InChI
InChI=1S/C12H4N7O12.Na/c20-14(21)5-1-7(16(24)25)11(8(2-5)17(26)27)13-12-9(18(28)29)3-6(15(22)23)4-10(12)19(30)31;/h1-4H;/q-1;+1
InChIKey
GZULJYAEGPFUFZ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Sodium 2,4,6-trinitro-N-(2,4,6-trinitrophenyl)benzen-1-aminide
CAS: 13474-21-0
CID: 53384514
Formula: C12H4N7NaO12
MW: 461.19
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight461.19
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count13
Rotatable Bond Count2
Exact Mass460.98156287
Monoisotopic Mass460.98156287
Topological Polar Surface Area276 Ų
Heavy Atom Count32
Formal Charge0
Complexity662
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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