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NS 1209

CAT: 0013-GTR19160406-02Size: 200 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19160406-02Size:200 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
NS1209 is a AMPA receptor antagonist.
CAS Number
205645-02-9
Purity
>98% (HPLC)
Smiles
[Na+].C (=O) (C (CCO) O/N=C\1/c2cc (c3CCN (Cc3c2NC1=O) C) c1ccc (cc1) S (=O) (=O) N (C) C) [O-]
Molecular Formula
C24H27N4NaO7S
Molecular Weight
538.55
Storage Conditions
Storage temperature: -20°C. Stability: ≥ 2 years
Notes
For research use only.

Chemical Information

Sodium 2-{[(Z)-{5-[4-(dimethylsulfamoyl)phenyl]-8-methyl-2-oxo-1,2,6,7,8,9-hexahydro-3H-pyrrolo[3,2-h]isoquinolin-3-ylidene}amino]oxy}-4-hydroxybutanoate
CAS Number205645-02-9
PubChem CID136237942
IUPAC Namesodium 2-[(Z)-[5-[4-(dimethylsulfamoyl)phenyl]-8-methyl-2-oxo-1,6,7,9-tetrahydropyrrolo[3,2-h]isoquinolin-3-ylidene]amino]oxy-4-hydroxybutanoate
Molecular FormulaC24H27N4NaO7S
Molecular Weight538.6
Topological Polar Surface Area160
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count10
Rotatable Bond Count8
Heavy Atom Count37
Formal Charge0
Complexity965
SMILES
CN1CCC2=C(C1)C3=C(C=C2C4=CC=C(C=C4)S(=O)(=O)N(C)C)/C(=N/OC(CCO)C(=O)[O-])/C(=O)N3.[Na+]
InChI
InChI=1S/C24H28N4O7S.Na/c1-27(2)36(33,34)15-6-4-14(5-7-15)17-12-18-21(19-13-28(3)10-8-16(17)19)25-23(30)22(18)26-35-20(9-11-29)24(31)32;/h4-7,12,20,29H,8-11,13H2,1-3H3,(H,31,32)(H,25,26,30);/q;+1/p-1
InChIKey
IEWVBTBLBYYUTR-UHFFFAOYSA-M
Chemical Structure
2D Structure
2D structure of Sodium 2-{[(Z)-{5-[4-(dimethylsulfamoyl)phenyl]-8-methyl-2-oxo-1,2,6,7,8,9-hexahydro-3H-pyrrolo[3,2-h]isoquinolin-3-ylidene}amino]oxy}-4-hydroxybutanoate
CAS: 205645-02-9
CID: 136237942
Formula: C24H27N4NaO7S
MW: 538.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight538.6
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count10
Rotatable Bond Count8
Exact Mass538.14981467
Monoisotopic Mass538.14981467
Topological Polar Surface Area160 Ų
Heavy Atom Count37
Formal Charge0
Complexity965
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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