Tenofovir Monohydrate - ≥98% , CAS No.206184-49-8

CAS: 206184-49-8 Cat. No.: T339120 分子式: C₉H₁₆N₅O₅P 分子量: 305.23 EC番号: 808-956-8 PubChem CID: 21146529

GRADE & PURITY ≥98%

Synonyms

AC-24577 | CHEBI:63716 | PHOSPHONIC ACID, P-(((1R)-2-(6-AMINO-9H-PURIN-9-YL)-1-METHYLETHOXY)METHYL)-, HYDRATE (1:1) | EN300-7445162 | SCHEMBL3133902 | J-013466 | UNII-99YXE507IL | Tenofovir (USAN) | Tenofovir monohydrate- (R)-[[2-(6-Amino-9Hpurin-9-yl)-1-

Storage

Store at 2-8°C,Protected from light,Argon charged

Shipped In

Wet ice

概要

Tenofovir Monohydrate is an HIV-1 RT inhibitor in an antiretroviral drug group known as nucleotide analogue reverse transcriptase inhibitors (nRTIs), which block reverse transcriptase, an enzyme crucial to viral production.

Specifications

同義語

AC-24577 | CHEBI:63716 | PHOSPHONIC ACID, P-(((1R)-2-(6-AMINO-9H-PURIN-9-YL)-1-METHYLETHOXY)METHYL)-, HYDRATE (1:1) | EN300-7445162 | SCHEMBL3133902 | J-013466 | UNII-99YXE507IL | Tenofovir (USAN) | Tenofovir monohydrate- (R)-[[2-(6-Amino-9Hpurin-9-yl)-1-

仕様と純度

≥98%

保管条件

Store at 2-8°C,Protected from light,Argon charged

入荷

Wet ice

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%

名前と識別子

• パブケム・シド: 488199863
• パブケム・シド・ウル: https://pubchem.ncbi.nlm.nih.gov/substance/488199863
• カノニカル・スマイル: CC(CN1C=NC2=C(N=CN=C21)N)OCP(=O)(O)O.O
• IUPAC Name: [(2R)-1-(6-aminopurin-9-yl)propan-2-yl]oxymethylphosphonic acid;hydrate
• InChIKey: PINIEAOMWQJGBW-FYZOBXCZSA-N
• INCHI: 1S/C9H14N5O4P.H2O/c1-6(18-5-19(15,16)17)2-14-4-13-7-8(10)11-3-12-9(7)14;/h3-4,6H,2,5H2,1H3,(H2,10,11,12)(H2,15,16,17);1H2/t6-;/m1./s1
• 異性体SMILES: C[C@H](CN1C=NC2=C(N=CN=C21)N)OCP(=O)(O)O.O
• 代替CAS番号: 147127-20-6
• PubChem CID: 21146529
• 分子量: 305.23

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • 分類 Imidazopyrimidines
      • Subclass Purines and purine derivatives

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• 分類: Imidazopyrimidines
• Subclass: Purines and purine derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: 6-aminopurines
• Alternative Parents: Aminopyrimidines and derivatives N-substituted imidazoles Imidolactams Organic phosphonic acids Heteroaromatic compounds Azacyclic compounds Primary amines Organopnictogen compounds Organophosphorus compounds Organooxygen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: 6-aminopurine - Aminopyrimidine - N-substituted imidazole - Pyrimidine - Imidolactam - Azole - Imidazole - Organophosphonic acid - Organophosphonic acid derivative - Heteroaromatic compound - Azacycle - Organophosphorus compound - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Organopnictogen compound - Amine - Primary amine - Organic oxide - Hydrocarbon derivative - Organic nitrogen compound - Aromatic heteropolycyclic compound
• 説明: This compound belongs to the class of organic compounds known as 6-aminopurines. These are purines that carry an amino group at position 6. Purine is a bicyclic aromatic compound made up of a pyrimidine ring fused to an imidazole ring.
• External Descriptors: hydrate

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

• 溶解度: Soluble in DMSO
• 感度: Light and heat sensitive
• 分子量: 305.230 g/mol
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 9
• Rotatable Bond Count: 5
• Exact Mass: 305.089 Da
• Monoisotopic Mass: 305.089 Da
• Topological Polar Surface Area: 137.000 Ų
• Heavy Atom Count: 20
• Formal Charge: 0
• Complexity: 354.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 1
• 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: 2

XLogP3