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| Name |
1,9-Dihydro-2-amino-9-(4-hydroxy-3-(hydroxymethyl)butyl)-6H-purin-6-one monosodium salt |
EINECS | N/A |
| CAS No. | 97845-62-0 | Density | N/A |
| PSA | 132.88000 | LogP | -0.28790 |
| Solubility | N/A | Melting Point |
N/A |
| Formula | C10H15 N5 O3 . Na | Boiling Point | N/A |
| Molecular Weight | 275.28 | Flash Point | N/A |
| Transport Information | N/A | Appearance | N/A |
| Safety | Mutation data reported. When heated to decomposition it emits toxic vapors of NOx. | Risk Codes | N/A |
| Molecular Structure |
|
Hazard Symbols | N/A |
| 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 |
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):
.bmp)
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
| 1. | 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 NOx.
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 .
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