Penciclovir

Systematic / IUPAC Name: 2-[2-(6-Hydroxy-2-imino-2,3-dihydro-9H-purin-9-yl)ethyl]-1,3-propanediol

ID: Reference3412

Other Names: Adenovir;
Penciceovir;
Penciclovirum;
Pencyclovir;
Vectavir ; more

Formula: C10H15N5O3

Class: Therapeutics/Prescription Drugs

Spectral Data

Penciclovir mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.

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Available MS Data

Used Instruments Q Exactive Orbitrap
No. of Spectral Trees 2
No. of Spectra 112
Tandem Spectra MS1, MS2
Ionization Methods ESI
Analyzers FT
Last Modification 11/24/2015 9:46:00 AM
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Identificators

InChI InChI=1S/C10H15N5O3/c11-10-13-8-7(9(18)14-10)12-5-15(8)2-1-6(3-16)4-17/h5-6,16-17H,1-4H2,(H3,11,13,14,18)
InChI Key JNTOCHDNEULJHD-UHFFFAOYSA-N
Canonical SMILES C1=NC2=C(N1CCC(CO)CO)NC(=NC2=O)N
CAS 39809251
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Other Names Adenovir;
Penciceovir;
Penciclovirum;
Pencyclovir;
Vectavir;
2-Amino-1,9-dihydro-9-[4-hydroxy-3-(hydroxymethyl)butyl]-6H-purin-6-one;
2-Amino-9-[4-hydroxy-3-(hydroxymethyl)butyl]-1,9-dihydro-6H-purin-6-one;
2-Amino-9-[4-hydroxy-3-(hydroxymethyl)butyl]-3,9-dihydropurin-6-one;
2-Amino-9-[4-hydroxy-3-(hydroxymethyl)butyl]-3H-purin-6-one;
2-Amino-9-[4-hydroxy-3-(hydroxymethyl)butyl]-6,9-dihydro-3H-purin-6-one;
6H-Purin-6-one, 2-amino-1,9-dihydro-9-(4-hydroxy-3-(hydroxymethyl)butyl)-;
9-[4-Hydroxy-3-(hydroxymethyl)butyl]guanine ;
9-(4-Hydroxy-3-hydroxymethylbut-1-yl)-guanine;
9-[2-Hydroxy-1-(hydroxymethyl)-ethoxymethyl]guanine;
9-[4-Hydroxy-3-(hydroxymethyl)but-1-yl]guanine

In Other Databases

ChemSpider 4563
ChEBI CHEBI:7956
ChemIDPlus 111810174; 039809251; 097845620
PubChem 4725
Wikipedia Penciclovir
KEGG D05407; C07417; D02124
HMDb HMDB14444
DrugBank DB00299