Desciclovir - ≥98% , CAS No.84408-37-7

CAS: 84408-37-7 Cat. No.: D412390 분자식: C₈H₁₁N₅O₂ 분자량: 209.21

GRADE & PURITY ≥98%

Synonyms

A-515U | EX-A4532 | Q27274669 | 9-(2-hydroxyethoxymethyl)-2-amino-9H-purine | Desiclovir | DESCICLOVIR [MART.] | DESCICLOVIR [INN] | BW-A515U | BW-A-515-U | D03690 | Desciclovir (USAN/INN) | DESCICLOVIR | 2-amino-9-(2-hydroxyethoxymethyl)purine | BHM1XXA2

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

개요

Product Describtion:

Desciclovir is a potent and orally active prodrug of the antiherpetic agent Acyclovir (ACV). Desciclovir is converted to acyclovir in vivo by xanthine oxidase.

Specifications

동의어

A-515U | EX-A4532 | Q27274669 | 9-(2-hydroxyethoxymethyl)-2-amino-9H-purine | Desiclovir | DESCICLOVIR [MART.] | DESCICLOVIR [INN] | BW-A515U | BW-A-515-U | D03690 | Desciclovir (USAN/INN) | DESCICLOVIR | 2-amino-9-(2-hydroxyethoxymethyl)purine | BHM1XXA2

사양 및 순도

≥98%

보관 조건

Store at -20°C

배송

Ice chest + Ice pads

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순수함

≥98%

제품 특성

• ALogP: -0.942
• hba_count: 4
• HBD 수: 2
• 회전 가능한 결합: 4

이름과 식별자

• Pubchem Sid: 488183389
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488183389
• 정식 스마일: C1=C2C(=NC(=N1)N)N(C=N2)COCCO
• IUPAC Name: 2-[(2-aminopurin-9-yl)methoxy]ethanol
• InChIKey: OKQHSIGMOWQUIK-UHFFFAOYSA-N
• INCHI: 1S/C8H11N5O2/c9-8-10-3-6-7(12-8)13(4-11-6)5-15-2-1-14/h3-4,14H,1-2,5H2,(H2,9,10,12)
• 이성체 SMILES: C1=C2C(=NC(=N1)N)N(C=N2)COCCO
• 분자량: 209.21
• Reaxy-Rn: 3614015
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=3614015&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• 분류: Imidazopyrimidines
• Subclass: Purines and purine derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Purines and purine derivatives
• Alternative Parents: Aminopyrimidines and derivatives N-substituted imidazoles Heteroaromatic compounds Azacyclic compounds Primary amines Primary alcohols Organopnictogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Purine - Aminopyrimidine - N-substituted imidazole - Pyrimidine - Azole - Imidazole - Heteroaromatic compound - Azacycle - Primary amine - Primary alcohol - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Amine - Alcohol - Aromatic heteropolycyclic compound
• 설명: This compound belongs to the class of organic compounds known as purines and purine derivatives. These are aromatic heterocyclic compounds containing a purine moiety, which is formed a pyrimidine-ring ring fused to an imidazole 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

작용 메커니즘

화학 및 물리적 특성

• DMSO(mg/mL) 최대 용해도: 42
• DMSO(mM) 최대 용해도: 200.755222025716
• 물(mg/mL) 최대 용해도: 25
• 물(mM) 최대 용해도: 119.497155967688
• 분자량: 209.210 g/mol
• XLogP3: -1.100
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 4
• Exact Mass: 209.091 Da
• Monoisotopic Mass: 209.091 Da
• Topological Polar Surface Area: 99.100 Ų
• Heavy Atom Count: 15
• Formal Charge: 0
• Complexity: 205.000
• Isotope Atom Count: 0
• 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