Acebrophylline
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Product Description
Product
Acebrophylline
CAS
179118-73-1
Formula
C12H12S2
Synonym
Acebrophylline; Ambromucil; Ambroxol theophyllinacetate; Broncomnes; C9-H10-N4-O4; COMPONENT; FDA UNII 0HM1E174TN; Molecular Formula Fragments C13-H18-Br2-N2-O; Molecular Formulas ?Molecular Formula C13-H18-Br2-N2-O.C9-H10-N4-O4; Other Registry Number 179118-73-1; Registry Numbers CAS Registry Number 96989-76-3; Surfolase; System Generated Number 0096989763; Systematic Name Cyclohexanol, 4-(((2-amino-3,5-dibromophenyl)methyl)amino)-, trans-, mono(1,2,3,6-tetrahydro-1,3-dimethyl-2,6-dioxo-7H-purine-7-acetate) (salt); UNII-0HM1E174TN;
Typical Product Specifications
SMILES
C1[C@H](O)CC[C@H](NCc2cc(Br)cc(Br)c2N)C1.n1(cnc2n(c(n(c(c12)=O)C)=O)C)CC(=O)O
InChI
IPUHJDQWESJTGD-PFWPSKEQSA-N
InChIKey
1S/C13H18Br2N2O.C9H10N4O4/c14-9-5-8(13(16)12(15)6-9)7-17-10-1-3-11(18)4-2-10;1-11-7-6(8(16)12(2)9(11)17)13(4-10-7)3-5(14)15/h5-6,10-11,17-18H,1-4,7,16H2;4H,3H2,1-2H3,(H,14,15)/t10-,11-;
Chemical Structure
Class
Acebrophylline
Product Description
Product
Acebrophylline
CAS
179118-73-1
Formula
C12H12S2
Synonym
Acebrophylline; Ambromucil; Ambroxol theophyllinacetate; Broncomnes; C9-H10-N4-O4; COMPONENT; FDA UNII 0HM1E174TN; Molecular Formula Fragments C13-H18-Br2-N2-O; Molecular Formulas ?Molecular Formula C13-H18-Br2-N2-O.C9-H10-N4-O4; Other Registry Number 179118-73-1; Registry Numbers CAS Registry Number 96989-76-3; Surfolase; System Generated Number 0096989763; Systematic Name Cyclohexanol, 4-(((2-amino-3,5-dibromophenyl)methyl)amino)-, trans-, mono(1,2,3,6-tetrahydro-1,3-dimethyl-2,6-dioxo-7H-purine-7-acetate) (salt); UNII-0HM1E174TN;
Typical Product Specifications
SMILES
C1[C@H](O)CC[C@H](NCc2cc(Br)cc(Br)c2N)C1.n1(cnc2n(c(n(c(c12)=O)C)=O)C)CC(=O)O
InChI
IPUHJDQWESJTGD-PFWPSKEQSA-N
InChIKey
1S/C13H18Br2N2O.C9H10N4O4/c14-9-5-8(13(16)12(15)6-9)7-17-10-1-3-11(18)4-2-10;1-11-7-6(8(16)12(2)9(11)17)13(4-10-7)3-5(14)15/h5-6,10-11,17-18H,1-4,7,16H2;4H,3H2,1-2H3,(H,14,15)/t10-,11-;
Chemical Structure
Class
