Azathioprine

enlarge

Systematic / IUPAC Name: 6-[(1-Methyl-4-nitro-1H-imidazol-5-yl)sulfanyl]-1H-purine

ID: Reference1895

Other Names: Imurel;
Azothioprine;
Azamun;
Azanin;
Imurek ; more

Formula: C9H7N7O2S

Class: Therapeutics/Prescription Drugs

Spectral Data

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

View Mass Spectra

Available MS Data

Used Instruments Q Exactive Plus Orbitrap
No. of Spectral Trees 1
No. of Spectra 39
Tandem Spectra MS1, MS2
Ionization Methods ESI
Analyzers FT
Last Modification 1/16/2015 10:26:12 AM
View Mass Spec Data > >

Identificators

InChI InChI=1S/C9H7N7O2S/c1-15-4-14-7(16(17)18)9(15)19-8-5-6(11-2-10-5)12-3-13-8/h2-4H,1H3,(H,10,11,12,13)
InChI Key LMEKQMALGUDUQG-UHFFFAOYSA-N
Canonical SMILES CN1C=NC(=C1SC2=NC=NC3=C2NC=N3)[N+](=O)[O-]
CAS 446866
Splash
Other Names Imurel;
Azothioprine;
Azamun;
Azanin;
Imurek;
Azathioprin;
Azatioprin;
Ccucol;
Muran;
Azathiopurine;
Azamune;
Azoran;
Methylnitroimidazolylmercaptopurine;
6-(1-Methyl-p-nitro-5-imidazolyl)-thiopurine;
Purine, 6-(1-methyl-4-nitro-5-imidazolylthio)-;
6-(Methyl-p-nitro-5-imidazolyl)-thiopurine;
1H-Purine, 6-((1-methyl-4-nitro-1H-imidazol-5-yl)thio)-;
6-(1-Methyl-4-nitroimidazol-5-yl)thiopurine;
6-((1-Methyl-4-nitroimidazol-5-yl)thio)purine;
Purine, 6-((1-methyl-4-nitroimidazol-5-yl)thio)-;
6-[(1-Methyl-4-nitro-1H-imidazol-5-yl)thio]-7H-purine;
6-[(1-Methyl-4-nitroimidazol-5-yl)thio]purine;
6-[(1-Methyl-4-nitro-1H-imidazol-5-yl)thio]-1H-purine;
6-[(1-Methyl-4-nitro-1H-imidazol-5-yl)thio]-9H-purine;
6-({4-Nitro-1-methyl-1H-imidazol-5-yl}sulfanyl)-7H-purine;
Thiopurine 6-(1-methyl-4-nitroimidazol-5-yl);
6-(3-Methyl-5-nitro-3H-imidazol-4-ylsulfanyl)-7H-purine

In Other Databases

DrugBank APRD00811
ChemIDPlus 000446866; 055774339
PubChem 2265
HMDb HMDB15128
ChEMBL CHEMBL1542
KEGG D00238; D03033; C06837
ChemSpider 2178
ChEBI CHEBI:2948
Wikipedia Azathioprine