CAS No. 171596-36-4

 

Product Information

Chemical Formula: C21H17N3O4
Molecular Weight:375.38
Synonyms:Demethyltadalafil; N-Desmethyl Tadalafil; (6R,12Ar)-6-(1,3-Benzodioxol-5-Yl)-2,3,6,7,12,12A-HexahydropyrazinoPyrido[3,4-B]Indole-1,4-Dione; (6R-Trans)-6-(1,3-Benzodioxol-5-Yl)-2,3,6,7,12,12A-HexahydropyrazinoPyrido[3,4-B]Indole-1,4-Dione; Nortadalafil; Tadalafil Impurity:Impurity C; PyrazinoPyrido[3,4-B]Indole-1,4-Dione, 6-(1,3-Benzodioxol-5-Yl)-2,3,6,7,12,12A-Hexahydro-, (6R,12Ar)-; (6R,12Ar)-6-(1,3-Benzodioxol-5-Yl)-2,3,6,7,12,12A-HexahydropyrazinoPyrido[3,4-B]Indole-1,4-Dione, N-Desmethyl Tadalafil
MDL No.:N/A
EINECS / EC No.:N/A
Pubchem CID:9820973
IUPAC Name:(2R,8R)-2-(1,3-benzodioxol-5-yl)-3,6,17-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),11,13,15-tetraene-4,7-dione
Standard InchI:InChI=1S/C21H17N3O4/c25-18-9-22-21(26)15-8-13-12-3-1-2-4-14(12)23-19(13)20(24(15)18)11-5-6-16-17(7-11)28-10-27-16/h1-7,15,20,23H,8-10H2,(H,22,26)/t15-,20-/m1/s1
InchI Key:XHDLVMPUSXRZOS-FOIQADDNSA-N
SMILES:C1C2C(=O)NCC(=O)N2C(C3=C1C4=CC=CC=C4N3)C5=CC6=C(C=C5)OCO6
Appearance:yellow powder
Melting Point:N/A
Boiling Point:718.6±60.0 °C at 760 mmHg
Density (Theoretical):1.55±0.1 g/cm3 (20 oC 760 Torr)

Safety Information

Signal Word: Warning
Hazard Statements:H302-H315-H319-H335
Precautionary Statements:P261-P305+P351+P338
Transportation Information:N/A
GHS Pictograms:Exclamation Mark - GHS07