1,9-Dihydro-2-amino-9-(4-hydroxy-3-(hydroxymethyl)butyl)-6H-purin-6-one monosodium salt supplier

Name
1,9-Dihydro-2-amino-9-(4-hydroxy-3-(hydroxymethyl)butyl)-6H-purin-6-on e monosodium salt
EINECS
CAS No. 97845-62-0
Density
Solubility
Melting Point
Formula C10H15 N5 O3 . Na
Boiling Point
Molecular Weight 275.28
Flash Point
Transport Information
Appearance
Safety Mutation data reported. When heated to decomposition it emits toxic vapors of NO_x.
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 6H-Purin-6-one,2-amino-1,9-dihydro-9-[4-hydroxy-3-(hydroxymethyl)butyl]-, monosodium salt(9CI); BRL 39123A; BRL 39123D; Penciclovir sodium
PSA 132.88000
LogP -0.28790

1,9-Dihydro-2-amino-9-(4-hydroxy-3-(hydroxymethyl)butyl)-6H-purin-6-one monosodium salt Chemical Properties

IUPAC Name: sodium 4-(2-amino-6-oxo-3H-purin-9-yl)-2-(hydroxymethyl)butan-1-olate
Empirical Formula: C₁₀H₁₄N₅NaO₃
Molecular Weight: 275.2396g/mol
Structure of 1,9-Dihydro-2-amino-9-(4-hydroxy-3-(hydroxymethyl)butyl)-6H-purin-6-one monosodium salt (CAS NO.97845-62-0):

H-Bond Donor: 3
H-Bond Acceptor: 6
Rotatable Bond Count: 5
Tautomer Count: 9
Exact Mass: 275.099434
MonoIsotopic Mass: 275.099434
Topological Polar Surface Area: 129
Heavy Atom Count: 19
Formal Charge: 0
Complexity: 354
Classification Code: Antiviral (treatment of herpes virus infections)
Canonical SMILES: C1=NC2=C(N1CCC(CO)C[O-])NC(=NC2=O)N.[Na+]
InChI: InChI=1S/C10H14N5O3.Na/c11-10-13-8-7(9(18)14-10)12-5-15(8)2-1-6(3-16)4-17;/h5-6,16H,1-4H2,(H3,11,13,14,18);/q-1;+1
InChIKey: BRPTUOYNOCSFRJ-UHFFFAOYSA-N

1,9-Dihydro-2-amino-9-(4-hydroxy-3-(hydroxymethyl)butyl)-6H-purin-6-one monosodium salt Toxicity Data With Reference

mnt-ivn-mus 640 µmol/kg/24H-I

MUREAV Mutation Research. 369 (1996),65.

1,9-Dihydro-2-amino-9-(4-hydroxy-3-(hydroxymethyl)butyl)-6H-purin-6-one monosodium salt Safety Profile

Mutation data reported. When heated to decomposition it emits toxic vapors of NO_x.

1,9-Dihydro-2-amino-9-(4-hydroxy-3-(hydroxymethyl)butyl)-6H-purin-6-one monosodium salt Specification

1,9-Dihydro-2-amino-9-(4-hydroxy-3-(hydroxymethyl)butyl)-6H-purin-6-one monosodium salt , its cas register number is 97845-62-0. It also can be called 2-Amino-1,9-dihydro-9-(4-hydroxy-3-(hydroxymethyl)butyl)-6H-purin-6-one monosodium salt ; 9-(4-Hydroxy-3-(hydroxymethyl)butyl)guanine monosodium salt ; BRL 39123-D ; Denavir ; Penciclovir sodium ; UNII-P06226385L .

Product Name

1,9-Dihydro-2-amino-9-(4-hydroxy-3-(hydroxymethyl)butyl)-6H-purin-6-on e monosodium salt

1,9-Dihydro-2-amino-9-(4-hydroxy-3-(hydroxymethyl)butyl)-6H-purin-6-one monosodium salt Chemical Properties

1,9-Dihydro-2-amino-9-(4-hydroxy-3-(hydroxymethyl)butyl)-6H-purin-6-one monosodium salt Toxicity Data With Reference

1,9-Dihydro-2-amino-9-(4-hydroxy-3-(hydroxymethyl)butyl)-6H-purin-6-one monosodium salt Safety Profile

1,9-Dihydro-2-amino-9-(4-hydroxy-3-(hydroxymethyl)butyl)-6H-purin-6-one monosodium salt Specification

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