Sodium 2-Amino-9-[(2-hydroxyethoxy)methyl]purin-6-olate - CAS 69657-51-8
Catalog: |
BB033912 |
Product Name: |
Sodium 2-Amino-9-[(2-hydroxyethoxy)methyl]purin-6-olate |
CAS: |
69657-51-8 |
Synonyms: |
sodium;2-amino-9-(2-hydroxyethoxymethyl)-6-purinolate; sodium;2-amino-9-(2-hydroxyethoxymethyl)purin-6-olate |
IUPAC Name: | sodium;2-amino-9-(2-hydroxyethoxymethyl)purin-6-olate |
Description: | Sodium 2-Amino-9-[(2-hydroxyethoxy)methyl]purin-6-olate (CAS# 69657-51-8 ) is a useful research chemical. |
Molecular Weight: | 247.19 |
Molecular Formula: | C8H10N5O3Na |
Canonical SMILES: | C1=NC2=C(N1COCCO)N=C(N=C2[O-])N.[Na+] |
InChI: | InChI=1S/C8H11N5O3.Na/c9-8-11-6-5(7(15)12-8)10-3-13(6)4-16-2-1-14;/h3,14H,1-2,4H2,(H3,9,11,12,15);/q;+1/p-1 |
InChI Key: | RMLUKZWYIKEASN-UHFFFAOYSA-M |
Boiling Point: | 613.1 °C at 760 mmHg |
Purity: | ≥98% (HPLC) |
Solubility: | In vitro: 10 mM in DMSO |
Appearance: | Solid powder |
Storage: | Please store the product under the recommended conditions in the Certificate of Analysis. |
MDL: | MFCD01694138 |
LogP: | 0.09990 |
GHS Hazard Statement: | H315 (50%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P271, P272, P273, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P333+P313, P337+P313, P362, P363, P403+P233, P405, and P501 |
Signal Word: | Warning |
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PMID | Publication Date | Title | Journal |
30531673 | 20181209 | Acyclovir Neurotoxicity in a Peritoneal Dialysis Patient: Report of a Case and Review of the Pharmacokinetics of Acyclovir | The American journal of case reports |
28829913 | 20170928 | Virtual Screening of Acyclovir Derivatives as Potential Antiviral Agents: Design, Synthesis, and Biological Evaluation of New Acyclic Nucleoside ProTides | Journal of medicinal chemistry |
28705621 | 20170830 | Functionalized PLA-PEG nanoparticles targeting intestinal transporter PepT1 for oral delivery of acyclovir | International journal of pharmaceutics |
27281837 | 20160601 | Genital Herpes: A Review | American family physician |
26112446 | 20150815 | Ionic derivatives of betulinic acid exhibit antiviral activity against herpes simplex virus type-2 (HSV-2), but not HIV-1 reverse transcriptase | Bioorganic & medicinal chemistry letters |
Complexity: | 237 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 2 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 247.06813348 |
Formal Charge: | 0 |
Heavy Atom Count: | 17 |
Hydrogen Bond Acceptor Count: | 7 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 247.06813348 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 122 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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