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Alprazolam 5-Oxide
[CAS# 30896-65-2]

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Identification
Classification API >> Nervous system medication >> Other nervous system medication
Name Alprazolam 5-Oxide
Synonyms 8-Chloro-1-Methyl-6-Phenyl-4H-5Lambda(5)-(1,2,4)Triazolo(4,3-A)(1,4)Benzodiazepin-5-Ol; Nsc 303007; 8-Chloro-1-Methyl-6-Phenyl-4H-5.Lambda.~5~-[1,2,4]Triazolo[4,3-A][1,4]Benzodiazepin-5-Ol
Molecular Structure CAS#: 30896-65-2, Alprazolam 5-Oxide
Molecular Formula C17H13ClN4O
Molecular Weight 324.77
CAS Registry Number 30896-65-2
SMILES C1=C(Cl)C=CC2=C1C(=[N+](CC3=NN=C([N]23)C)[O-])C4=CC=CC=C4
InChI 1S/C17H13ClN4O/c1-11-19-20-16-10-21(23)17(12-5-3-2-4-6-12)14-9-13(18)7-8-15(14)22(11)16/h2-9H,10H2,1H3
InChIKey WHYAIKHHRCPZBI-UHFFFAOYSA-N
Properties
Density 1.419g/cm3 (Cal.)
Boiling point 587.196°C at 760 mmHg (Cal.)
Flash point 308.925°C (Cal.)
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