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NCS-382 (sodium)

CAT: 0804-HY-W008645-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-W008645-01Size:1 mg
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Description
NCS-382 (sodium) is a potent GABA receptor antagonist. NCS-382 (sodium) has anti-sedative and anti-hypnotic activities and can be used in research related to neurological diseases[1].
CAS Number
131733-92-1
UNSPSC
12352005
Target
GABA Receptor
Type
Reference compound
Related Pathways
Membrane Transporter/Ion Channel; Neuronal Signaling
Applications
Neuroscience-Neuromodulation
Field of Research
Neurological Disease
Assay Protocol
https://www.medchemexpress.com/ncs-382-sodium.html
Purity
99.0
Solubility
10 mM in DMSO|DMSO : ≥ 12mg/mL
Smiles
O=C(O[Na])/C=C1CCCC2=CC=CC=C2C\1O
Molecular Formula
C13H13NaO3
Molecular Weight
240.23
References & Citations
[1]Schmidt C, et al. Anti-sedative and anti-cataleptic properties of NCS-382, a gamma-hydroxybutyrate receptor antagonist. Eur J Pharmacol. 1991 Oct 22;203 (3) :393-7.
Shipping Conditions
Blue Ice
Storage Conditions
-20°C, 3 years (Powder)
Scientific Category
Reference compound1
Clinical Information
No Development Reported

Chemical Information

Ncs 382

structure given in first source

CAS Number131733-92-1
PubChem CID3613485
IUPAC Namesodium 2-(5-hydroxy-5,7,8,9-tetrahydrobenzo[7]annulen-6-ylidene)acetate
Molecular FormulaC13H13NaO3
Molecular Weight240.23
Topological Polar Surface Area60.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Heavy Atom Count17
Formal Charge0
Complexity301
SMILES
C1CC2=CC=CC=C2C(C(=CC(=O)[O-])C1)O.[Na+]
InChI
InChI=1S/C13H14O3.Na/c14-12(15)8-10-6-3-5-9-4-1-2-7-11(9)13(10)16;/h1-2,4,7-8,13,16H,3,5-6H2,(H,14,15);/q;+1/p-1
InChIKey
BTWDZCORIHHOPO-UHFFFAOYSA-M
Chemical Structure
2D Structure
2D structure of Ncs 382
CAS: 131733-92-1
CID: 3613485
Formula: C13H13NaO3
MW: 240.23
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight240.23
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Exact Mass240.07623855
Monoisotopic Mass240.07623855
Topological Polar Surface Area60.4 Ų
Heavy Atom Count17
Formal Charge0
Complexity301
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count1
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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CatalogName
MBS5819781NCS-382 sodium
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sc-203444ANCS-382 Sodium Salt
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460610-01NCS-356 Sodium Salt Hydrate
N0059-30NCS-382, Sodium Salt (6,7,8,9-Tetrahydro-5[H]-Benzocyclo-heptene-5-ol-4-ylidene Acetic Acid, Sodium Salt)
sc-506434NCS-382
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