Butalbital

Synonyms: butalbital, "Allylbarbital", "Itobarbital", "Alisobumal", "Allylbarbitone", "Tetrallobarbital", "Butalbarbital", "Allylbarbituric acid", "Profundal", "Sandoptal", "Allylisobutylbarbital", "Alisobumalum", "Butalbitalum", "Optalidon", "Iso-butylallylbarbituric acid", "5-Allyl-5-isobutylbarbituric acid", "Allylisobutylbarbiturate", "5-Allyl-5-(2'-methyl-n-propyl) barbituric acid", "5-Allyl-5-(2-methylpropyl)barbituric acid"

Source: Butalbital is often combined with other medications, such as acetaminophen or aspirin, and is commonly prescribed for the treatment of pain and headache.

Identifiers:

IUPAC Name: 5-(2-methylpropyl)-5-prop-2-enyl-1,3-diazinane-2,4,6-trione
CAS Number: 77-26-9
PubChem ID: 2481
InChiKey: UZVHFVZFNXBMQJ-UHFFFAOYSA-N
Canonical SMILES: CC(C)CC1(C(=O)NC(=O)NC1=O)CC=C

Structural Properties:

Molecular Formula: C₁₁H₁₆N₂O₃
Molecular Weight: 224,260

Pharmacophore Features:

Number of bond donors: 2
Number of bond acceptors: 3
Number of atoms different from hydrogen: 16

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2D structure (.sdf)
3D structure (.sdf)
3D structure (.mol2)
3D structure (.pdb)
3D structure (.pdbqt)

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