Tadalafil Ketolactam
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Basic information
- CAS
1978322-98-3- Standard SMILES
CN1CC(=O)N2[C@H](CC(=O)c3ccccc3NC(=O)[C@H]2c2ccc3c(c2)OCO3)C1=O- InChIKey
BBMXALYUYHSADD-FOIQADDNSA-N- Molecular formula
- C22H19N3O6
- Average molar mass
- 421.4 g/mol
Names & identifiers
- Preferred name
- Tadalafil Ketolactam
- IUPAC
- (6R,14aR)-6-(1,3-benzodioxol-5-yl)-2-methyl-6,8,14,14a-tetrahydro-3H-pyrazino[1,2-d][1,4]benzodiazonine-1,4,7,13-tetrone
- English name
- Tadalafil EP impurity H
- Molecular formula
- C22H19N3O6
- Molecular weight
- 421.4
Names & synonyms
Tadalafil Ketolactam1346605-38-6Tadalafil EP Impurity H1978322-98-383Z1ZC7LN1(6R,14aR)-6-(1,3-benzodioxol-5-yl)-2-methyl-6,8,14,14a-tetrahydro-3H-pyrazino[1,2-d][1,4]benzodiazonine-1,4,7,13-tetronerel-(6R,14aR)-6-(1,3-Benzodioxol-5-yl)-2,3,14,14a-tetrahydro-2-methylpyrazino[1,2-d][1,4]benzodiazonine-1,4,7,13(6H,8H)-tetronerel-(6R,14aR)-6-(Benzo[d][1,3]dioxol-5-yl)-2-methyl-2,3,14,14a-tetrahydrobenzo[h]pyrazino[1,2-d][1,4]diazonine-1,4,7,13(6H,8H)-tetraone(6R,14aR)-6-(1,3-Benzodioxol-5-yl)-2,3,14,14a-tetrahydro-2-methylpyrazino[1,2-d][1,4]benzodiazonine-1,4,7,13(6H,8H)-tetrone(6R,14aR)-6-(Benzo[d][1,3]dioxol-5-yl)-2-methyl-2,3,14,14a-tetrahydrobenzo[h]pyrazino[1,2-d][1,4]diazonine-1,4,7,13(6H,8H)-tetraoneTadalafil Ketolactam (>85%)(6R,14aR)-6-(1,3-Benzodioxol-5-yl)-2-methyl-2,3,14,14a-tetrahydropyrazino(1,2-d)(1,4)benzodiazonine-1,4,7,13(6H,8H)-tetrone
Show more names
2-d][113- (6H14aR)-6-(18H)-tetrone4]benzodiazonine-1adalafil EP impurity H14atetrahydropyrazino[1Tildenafil EP Impurity HTadalafil EP Impurity H (ketolactam)Pyrazino[1,2-d][1,4]benzodiazonine-1,4,7,13(6H,8H)-tetrone, 6-(1,3-benzodioxol-5-yl)-2,3,14,14a-tetrahydro-2-methyl-, (6R,14aR)-
6-(1,3-Benzodioxol-5-yl)-2-methyl-2,3,14,14a-tetrahydropyrazino(1,2-d)(1,4)benzodiazonine-1,4,7,13(6H,8H)-tetrone, (6R,14aR)-Pyrazino(1,2-d)(1,4)benzodiazonine-1,4,7,13(6H,8H)-tetrone, 6-(1,3-benzodioxol-5-yl)-2,3,14,14a-tetrahydro-2-methyl-, (6R,14aR)-Tadalafil Ketolactam (>90per cent)Tadalafil impurity H [EP]UNII-83Z1ZC7LN1DTXSID10858413:C4X-10878Tadalafil EP Impurity HTADALAFIL IMPURITY H [EP IMPURITY]
Database identifiers
- CAS
1978322-98-3- UNII
- 83Z1ZC7LN1
Properties
Computed structural propertiesFilling in
- XLogP
- 1
- Topological polar surface area
- 105 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 1
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 787
Physicochemical properties
- InChIKey
- BBMXALYUYHSADD-FOIQADDNSA-N
- SMILES
- N1C2=CC=CC=C2C(=O)C[C@]2([H])C(=O)N(C)CC(=O)N2[C@H](C2=CC=C3OCOC3=C2)C1=O
Related reactions
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Compound notes
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