(1R,3R)-1-(1,3-benzodioxol-5-yl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylic acid
Basic information
- CAS
406938-39-4- Standard SMILES
O=C(O)[C@H]1Cc2c([nH]c3ccccc23)[C@@H](c2ccc3c(c2)OCO3)N1- InChIKey
MDXJJOKTGDJRNN-RHSMWYFYSA-N- Molecular formula
- C19H16N2O4
- Average molar mass
- 336.3 g/mol
- Monoisotopic mass
- 336.111007
Names & identifiers
- Preferred name
- (1R,3R)-1-(1,3-benzodioxol-5-yl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylic acid
- IUPAC
- (1R,3R)-1-(1,3-benzodioxol-5-yl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylic acid
- English name
- Tadalafil Impurity 20
- Molecular formula
- C19H16N2O4
- Molecular weight
- 336.34
Names & synonyms
406938-39-4(1R,3R)-1-(Benzo[d][1,3]dioxol-5-yl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylic acid(1R,3R)-1-(1,3-benzodioxol-5-yl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylic acid1H-Pyrido[3,4-b]indole-3-carboxylic acid, 1-(1,3-benzodioxol-5-yl)-2,3,4,9-tetrahydro-, (1R,3R)-Tadalafil Impurity RE77NG787BSSCHEMBL1420308SCHEMBL30151446SCHEMBL30622287AT35572SY320359TDF-M1-COOH
Show more names
Tildenafil Impurity 11Tadalafil Impurity 20 2HClTadalafil Impurity 40 Monomer
Database identifiers
- CAS
406938-39-4- PubChem CID
- 830159
- UNII
- E77NG787BS
- Nikkaji
- J2.676.522F
Properties
Computed structural properties
- XLogP
- 0.3
- Topological polar surface area
- 83.6 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 530
Physicochemical properties
- Boiling point
- 595.6 · 595.6±50.0 °C(Predicted)
- Density
- 1.447 · 1.447±0.06 g/cm3(Predicted)
- pka
- 2.18 · 2.18±0.40(Predicted)
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…