Trimethoprim-d3 - ≥98%,≥98atom%D , CAS No.1189923-38-3

CAS: 1189923-38-3 Cat. No.: T334367 分子式: C₁₄H₁₅D₃N₄O₃ 分子量: 293.34 PubChem CID: 46783191

GRADE & PURITY ≥98%,≥98atom%D

Synonyms

5-({3,5-Dimethoxy-4-[(~2~H_3_)methyloxy]phenyl}methyl)pyrimidine-2,4-diamine | 5-[[3,5-dimethoxy-4-(trideuteriomethoxy)phenyl]methyl]pyrimidine-2,4-diamine | AKOS037652813 | Trimethoprim-d3 (Major) | 5-{[4-(?H?)methoxy-3,5-dimethoxyphenyl]methyl}pyrimidin

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

概要

A deuterated Trimethoprim, which is an antibacterial. The compound belongs to a a class of chemotherapeutic agents known as dihydrofolate reductase inhibitors.

Specifications

同義語

5-({3,5-Dimethoxy-4-[(~2~H_3_)methyloxy]phenyl}methyl)pyrimidine-2,4-diamine | 5-[[3,5-dimethoxy-4-(trideuteriomethoxy)phenyl]methyl]pyrimidine-2,4-diamine | AKOS037652813 | Trimethoprim-d3 (Major) | 5-{[4-(?H?)methoxy-3,5-dimethoxyphenyl]methyl}pyrimidin

仕様と純度

≥98%,≥98atom%D

保管条件

Store at -20°C

入荷

Ice chest + Ice pads

この製品は冷冷この冷このこの製品の運送が必要です。地上およびその他の経済サービスは利用できません。

純度

≥98%,≥98atom%D

名前と識別子

• カノニカル・スマイル: COC1=CC(CC2=CN=C(N)N=C2N)=CC(OC)=C1OC([2H])([2H])[2H]
• IUPAC Name: 5-[[3,5-dimethoxy-4-(trideuteriomethoxy)phenyl]methyl]pyrimidine-2,4-diamine
• InChIKey: IEDVJHCEMCRBQM-HPRDVNIFSA-N
• INCHI: 1S/C14H18N4O3/c1-19-10-5-8(6-11(20-2)12(10)21-3)4-9-7-17-14(16)18-13(9)15/h5-7H,4H2,1-3H3,(H4,15,16,17,18)/i3D3
• 異性体SMILES: [2H]C([2H])([2H])OC1=C(C=C(C=C1OC)CC2=CN=C(N=C2N)N)OC
• 代替CAS番号: 738-70-5 （unlabelled）
• PubChem CID: 46783191
• 分子量: 293.34

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • 分類 Phenol ethers
      • Subclass Anisoles

• Kingdom: Organic compounds
• Superclass: Benzenoids
• 分類: Phenol ethers
• Subclass: Anisoles
• Intermediate Tree Nodes: Not available
• Direct Parent: Anisoles
• Alternative Parents: Phenoxy compounds Methoxybenzenes Aminopyrimidines and derivatives Alkyl aryl ethers Imidolactams Heteroaromatic compounds Azacyclic compounds Primary amines Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Phenoxy compound - Anisole - Methoxybenzene - Alkyl aryl ether - Aminopyrimidine - Monocyclic benzene moiety - Pyrimidine - Imidolactam - Heteroaromatic compound - Ether - Organoheterocyclic compound - Azacycle - Organic oxygen compound - Amine - Primary amine - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Hydrocarbon derivative - Aromatic heteromonocyclic compound
• 説明: This compound belongs to the class of organic compounds known as anisoles. These are organic compounds containing a methoxybenzene or a derivative thereof.
• 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

化学的性質と物理的性質

• 融点（°C）: 208-210° C
• 分子量: 293.340 g/mol
• XLogP3: 0.900
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 5
• Exact Mass: 293.157 Da
• Monoisotopic Mass: 293.157 Da
• Topological Polar Surface Area: 106.000 Ų
• Heavy Atom Count: 21
• Formal Charge: 0
• Complexity: 307.000
• Isotope Atom Count: 3
• 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