Topiramate-d12 - ≥98 atom% D,≥98% , CAS No.1279037-95-4

CAS: 1279037-95-4 Cat. No.: T334113 Peso molecular: 351.44 Número EC: 802-954-0 PubChem CID: 45040550

GRADE & PURITY ≥98 atom% D,≥98%

Synonyms

1279037-95-4 | HY-110234 | J-005555 | Topiramate D12 | 2,3:4,5-Bis-O-(1-methylethylidene-d6)-?-D-fructopyranose sulfamate | AKOS025147394 | Topiramate-D12 (major) | 2,3:4,5-Bis-O-(1-methylethylidene)-beta-D-fuctopyranose-d12 1-Sulfamate | F91379 | McN 485

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Descripción general

Topiramate D12 (McN 4853 D12) is a deuterium labeled Topiramate. Topiramate is a broad-spectrum antiepileptic agent. Topiramate is a GluR5 receptor antagonist. Topiramate produces its antiepileptic effects through enhancement of GABAergic activity, inhibition of kainate/AMPA receptors, inhibition of voltage-sensitive sodium and calcium channels, increases in potassium conductance, and inhibition of carbonic anhydrase.

Specifications

Sinónimos

1279037-95-4 | HY-110234 | J-005555 | Topiramate D12 | 2, 3:4, 5-Bis-O-(1-methylethylidene-d6)-?-D-fructopyranose sulfamate | AKOS025147394 | Topiramate-D12 (major) | 2, 3:4, 5-Bis-O-(1-methylethylidene)-beta-D-fuctopyranose-d12 1-Sulfamate | F91379 | McN 485

Especificaciones y pureza

≥98 atom% D, ≥98%

Condiciones de almacenamiento de almacenamiento

Store at -20°C

Enviado en

Ice chest + Ice pads

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Pureza

≥98 atom% D, ≥98%

Nombres e identificadores

• Sonrisas canónicas: CC1(OC2COC3(C(C2O1)OC(O3)(C)C)COS(=O)(=O)N)C
• IUPAC Name: [(1R,2S,6S,9R)-4,4,11,11-tetrakis(trideuteriomethyl)-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecan-6-yl]methyl sulfamate
• InChIKey: KJADKKWYZYXHBB-RFYKXYJISA-N
• INCHI: 1S/C12H21NO8S/c1-10(2)18-7-5-16-12(6-17-22(13,14)15)9(8(7)19-10)20-11(3,4)21-12/h7-9H,5-6H2,1-4H3,(H2,13,14,15)/t7-,8-,9+,12+/m1/s1/i1D3,2D3,3D3,4D3
• Isómeros SMILES: [2H]C([2H])([2H])C1(O[C@@H]2CO[C@@]3([C@H]([C@@H]2O1)OC(O3)(C([2H])([2H])[2H])C([2H])([2H])[2H])COS(=O)(=O)N)C([2H])([2H])[2H]
• CAS alternativo: 97240-79-4（unlabelled）
• PubChem CID: 45040550
• Peso molecular: 351.44

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Clase Dioxolopyrans

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Dioxolopyrans
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Dioxolopyrans
• Alternative Parents: Ketals Oxanes Monosaccharides Organic sulfuric acids and derivatives 1,3-dioxolanes Oxacyclic compounds Organic oxides Organic nitrogen compounds Hydrocarbon derivatives
• Molecular Framework: Aliphatic heteropolycyclic compounds
• Substituents: Dioxolopyran - Ketal - Oxane - Monosaccharide - Organic sulfuric acid or derivatives - Meta-dioxolane - Oxacycle - Acetal - Organic nitrogen compound - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Aliphatic heteropolycyclic compound
• Descripción: This compound belongs to the class of organic compounds known as dioxolopyrans. These are compounds containing a dioxolopyran moiety, which consists of a dioxole ring fused to a pyran ring.
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Propiedades químicas y físicas

• Solubilidad: Soluble in Ethyl Acetate and Hexane
• Punto de fusión (°C): 120-122° C
• Peso molecular: 351.440 g/mol
• XLogP3: -0.800
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 9
• Rotatable Bond Count: 3
• Exact Mass: 351.174 Da
• Monoisotopic Mass: 351.174 Da
• Topological Polar Surface Area: 124.000 Ų
• Heavy Atom Count: 22
• Formal Charge: 0
• Complexity: 556.000
• Isotope Atom Count: 12
• Defined Atom Stereocenter Count: 4
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1