EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:2611 - alprazolam

ChEBI IDCHEBI:2611
ChEBI Namealprazolam
Stars
DefinitionA member of the class of triazolobenzodiazepines that is 4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepine carrying methyl, phenyl and chloro substituents at positions 1, 6 and 8 respectively. Alprazolam is only found in individuals that have taken this drug.
Last Modified22 February 2017
DownloadsMolfile

FormulaC17H13ClN4
Net Charge0
Average Mass308.772
Monoisotopic Mass308.08287
SMILESCc1nnc2n1-c1ccc(Cl)cc1C(c1ccccc1)=NC2
InChIInChI=1S/C17H13ClN4/c1-11-20-21-16-10-19-17(12-5-3-2-4-6-12)14-9-13(18)7-8-15(14)22(11)16/h2-9H,10H2,1H3
InChIKeyVREFGVBLTWBCJP-UHFFFAOYSA-N

Wikipedia
Roles Classification

ChEBI Ontology
IUPAC Name 
8-chloro-1-methyl-6-phenyl-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepine
Synonyms  Source
AlprazolamKEGG COMPOUND
XanaxChemIDplus
8-Chloro-1-methyl-6-phenyl-4H-s-triazolo(4,3-a)(1,4)benzodiazepineChemIDplus
Manual XrefsDatabases
C06817KEGG COMPOUND
D00225KEGG DRUG
AlprazolamWikipedia
DB00404DrugBank
HMDB0014548HMDB
LSM-5460LINCS
136DrugCentral
2960VSDB
Registry NumbersSources
Reaxys:1223125Reaxys
CAS:28981-97-7KEGG COMPOUND
CAS:28981-97-7ChemIDplus
CAS:28981-97-7NIST Chemistry WebBook
Citations