Phenytoin-d10 - ≥98%(CP),≥97 atom% D , CAS No.65854-97-9

CAS: 65854-97-9 Cat. No.: D757631 분자식: C₁₅H₂D₁₀N₂O₂ 분자량: 262.33 EC 번호: 804-099-9

GRADE & PURITY ≥98%(CP),≥97 atom% D

Synonyms

5,5-Diphenylhydantoin-d10 | 5,5-Di(Phenyl-d5)-2,4-imidazolidinedione

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

개요

Phenytoin-d10 is the deuterium labeled Phenytoin. Phenytoin (5,5-Diphenylhydantoin) is a potent Voltage-gated Na+ channels (VGSCs) blocker. Phenytoin has antiepileptic activity and reduces breast tumour growth and metastasis in mice.

Specifications

동의어

5,5-Diphenylhydantoin-d10 | 5,5-Di(Phenyl-d5)-2,4-imidazolidinedione

사양 및 순도

≥98%(CP),≥97 atom% D

보관 조건

Store at -20°C

배송

Ice chest + Ice pads

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작업 유형

INHIBITOR

순수함

≥98%(CP),≥97 atom% D

이름과 식별자

Pubchem Sid

528775261

정식 스마일

C1=CC=C(C=C1)C2(C(=O)NC(=O)N2)C3=CC=CC=C3

IUPAC Name

5,5-bis(2,3,4,5,6-pentadeuteriophenyl)imidazolidine-2,4-dione

InChIKey

CXOFVDLJLONNDW-LHNTUAQVSA-N

INCHI

1S/C15H12N2O2/c18-13-15(17-14(19)16-13,11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10H,(H2,16,17,18,19)/i1D,2D,3D,4D,5D,6D,7D,8D,9D,10D

이성체 SMILES

[2H]C1=C(C(=C(C(=C1[2H])[2H])C2(C(=O)NC(=O)N2)C3=C(C(=C(C(=C3[2H])[2H])[2H])[2H])[2H])[2H])[2H]

WGK 독일

3

대체 CAS

57-41-0（unlabelled）

분자량

262.33

Reaxy-Rn

384532

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=384532&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • 분류 Azolidines
      • Subclass Imidazolidines
        • Level5 Imidazolidinones
          • Level6 Imidazolidinediones
            • Level7 Hydantoins
              • Level8 Phenylhydantoins

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• 분류: Azolidines
• Subclass: Imidazolidines
• Intermediate Tree Nodes: Imidazolidinones - Imidazolidinediones - Hydantoins
• Direct Parent: Phenylhydantoins
• Alternative Parents: Diphenylmethanes Phenylimidazolidines Alpha amino acids and derivatives 5-monosubstituted hydantoins N-acyl ureas Dicarboximides Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: 5-phenylhydantoin - Diphenylmethane - Phenylimidazolidine - Alpha-amino acid or derivatives - 5-monosubstituted hydantoin - Ureide - N-acyl urea - Benzenoid - Monocyclic benzene moiety - Dicarboximide - Urea - Carbonic acid derivative - Azacycle - Carboxylic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Carbonyl group - Aromatic heteromonocyclic compound
• 설명: This compound belongs to the class of organic compounds known as phenylhydantoins. These are heterocyclic aromatic compounds containing an imiazolidinedione moiety substituted by a phenyl group.
• 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

화학 및 물리적 특성

• 용해성: DMSO (Slightly), Methanol (Slightly)
• 분자량: 262.330 g/mol
• XLogP3: 2.500
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 262.153 Da
• Monoisotopic Mass: 262.153 Da
• Topological Polar Surface Area: 58.200 Ų
• Heavy Atom Count: 19
• Formal Charge: 0
• Complexity: 350.000
• Isotope Atom Count: 10
• Defined Atom Stereocenter Count: 0
• 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