Alprazolam


Alprazolam
DEDuCT identifierDED000804
PubChem identifier2118
CAS identifier28981-97-7
DSSTox identifierDTXSID4022577
IUPAC name8-chloro-1-methyl-6-phenyl-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepine
Category based on type of supporting evidenceCategory IV
Broad category based on environmental sourceMedicine and Healthcare
Sub-category based on environmental sourceDrugs and Pharmaceuticals
Chemical kingdomOrganic compounds
Chemical super-classOrganoheterocyclic compounds
Chemical classBenzodiazepines
SMILESClc1ccc2-n3c(CN=C(c2c1)c1ccccc1)nnc3C
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

Download structure:
2D:2D MOL2D MOL22D SDF
3D:3D MOL3D MOL23D SDF3D PDB3D PDBQT

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