ChemicalBook--->CAS DataBase List--->951661-82-8

951661-82-8

951661-82-8 Structure

951661-82-8 Structure
IdentificationBack Directory
[Name]

Tadalafil iMpurity B
[CAS]

951661-82-8
[Synonyms]

Reaxys ID: 15583730
Tadalafil iMpurity B
Tadanafil Impurity B
(1R,3R)-1-(1,3-Benzodioxol-5-yl)-2,3,4,9-tetrahydro-N-methyl-1H-pyrido[3,4-b]indole-3-carboxamide
1H-Pyrido[3,4-b]indole-3-carboxamide, 1-(1,3-benzodioxol-5-yl)-2,3,4,9-tetrahydro-N-methyl-, (1R,3R)-
[Molecular Formula]

C20H19N3O3
[MDL Number]

MFCD21363862
[MOL File]

951661-82-8.mol
[Molecular Weight]

349.38
Chemical PropertiesBack Directory
[Boiling point ]

628.6±55.0 °C(Predicted)
[density ]

1.342±0.06 g/cm3(Predicted)
[pka]

15.59±0.40(Predicted)
[InChI]

InChI=1S/C20H19N3O3/c1-21-20(24)15-9-13-12-4-2-3-5-14(12)22-19(13)18(23-15)11-6-7-16-17(8-11)26-10-25-16/h2-8,15,18,22-23H,9-10H2,1H3,(H,21,24)/t15-,18-/m1/s1
[InChIKey]

QWRJNDUNSMFZTP-CRAIPNDOSA-N
[SMILES]

N1C2=C(C=CC=C2)C2C[C@H](C(NC)=O)N[C@H](C3=CC=C4OCOC4=C3)C1=2
Hazard InformationBack Directory
[Uses]

(1R,3R)-1-(1,3-Benzodioxol-5-yl)-2,3,4,9-tetrahydro-N-methyl-1H-pyrido[3,4-b]indole-3-carboxamide is an impurity of Tadalafil (T004500), a phosphodiesterase 5 inhibitor that is used to treat erectile dysfunction.
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