Butalbital, USP
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Product Description
Product
Butalbital, USP
CAS
77-26-9
Formula
C11H16N2O3
Synonym
Optalidon; Butalbital; Allylbarbitone; Allylbarbituric acid; Allylisobutylbarbital; Allylisobutylbarbiturate; Allylisobutylbarbituric acid; Axocet; Axotal; Barbituric acid, 5-allyl-5-isobutyl-; Butalbarbital; 2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-(2-methylpropyl)-5-(2-propenyl)-; 5-allyl-5-(2’-methyl-n-propyl)barbituricacid; 5-Allyl-5-(2'-methyl-n-propyl) barbituric acid; 5-Allyl-5-(2-methylpropyl)barbituric acid; 5-Allyl-5-isobutyl-2,4,6(1H,3H,5H)-pyrimidinetrione; 5-ALLYL-5-ISOBUTYLBARBITURIC ACID; 5-allyl-5-isobutyl-barbituricaci; Alisobumal; Alisobumalum; Allylbarbital; Butalbitale; Butalbitale [DCIT]; Butalbitalum; Butalbitalum [INN-Latin]; DEA No. 2100; EINECS 201-017-8; Fiorinal; HSDB 7853; Isobutylallylbarbituric acid; Iso-butylallylbarbituric acid; Isobutylallylbarturic acid; Itobarbital; Mixture Names Axotal; Profundal; Sandoptal; Superlist Names Butalbital; Tetrallobarbital; UNII-KHS0AZ4JVK
Typical Product Specifications
Molecular weight
224.26
EINECS
201-017-8
SMILES
C1(C(NC(=O)NC1=O)=O)(CC(C)C)CC=C
InChI
1S/C11H16N2O3/c1-4-5-11(6-7(2)3)8(14)12-10(16)13-9(11)15/h4,7H,1,5-6H2,2-3H3,(H2,12,13,14,15,16)
InChIKey
UZVHFVZFNXBMQJ-UHFFFAOYSA-N
log P (octanol-water)
1.870
Water solubility
1700 mg/L
Atmospheric OH Rate Constant
3.91E-11 cm3/molecule-sec
Melting Point
138.5 ° C
Class
Butalbital, USP
Product Description
Product
Butalbital, USP
CAS
77-26-9
Formula
C11H16N2O3
Synonym
Optalidon; Butalbital; Allylbarbitone; Allylbarbituric acid; Allylisobutylbarbital; Allylisobutylbarbiturate; Allylisobutylbarbituric acid; Axocet; Axotal; Barbituric acid, 5-allyl-5-isobutyl-; Butalbarbital; 2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-(2-methylpropyl)-5-(2-propenyl)-; 5-allyl-5-(2’-methyl-n-propyl)barbituricacid; 5-Allyl-5-(2'-methyl-n-propyl) barbituric acid; 5-Allyl-5-(2-methylpropyl)barbituric acid; 5-Allyl-5-isobutyl-2,4,6(1H,3H,5H)-pyrimidinetrione; 5-ALLYL-5-ISOBUTYLBARBITURIC ACID; 5-allyl-5-isobutyl-barbituricaci; Alisobumal; Alisobumalum; Allylbarbital; Butalbitale; Butalbitale [DCIT]; Butalbitalum; Butalbitalum [INN-Latin]; DEA No. 2100; EINECS 201-017-8; Fiorinal; HSDB 7853; Isobutylallylbarbituric acid; Iso-butylallylbarbituric acid; Isobutylallylbarturic acid; Itobarbital; Mixture Names Axotal; Profundal; Sandoptal; Superlist Names Butalbital; Tetrallobarbital; UNII-KHS0AZ4JVK
Typical Product Specifications
Molecular weight
224.26
EINECS
201-017-8
SMILES
C1(C(NC(=O)NC1=O)=O)(CC(C)C)CC=C
InChI
1S/C11H16N2O3/c1-4-5-11(6-7(2)3)8(14)12-10(16)13-9(11)15/h4,7H,1,5-6H2,2-3H3,(H2,12,13,14,15,16)
InChIKey
UZVHFVZFNXBMQJ-UHFFFAOYSA-N
log P (octanol-water)
1.870
Water solubility
1700 mg/L
Atmospheric OH Rate Constant
3.91E-11 cm3/molecule-sec
Melting Point
138.5 ° C
Class
