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171596-29-5
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171596-29-5
Tadalafil Basic information | |
Product Name: | Tadalafil |
Synonyms: | TADALAFIL;CIALIS;IC 351;(6R,12AR)-6-(benzo[d][1,3]dioxol-5-yl)-2-methyl-2,3,12,12a-tetrahydropyrazino[1',2':1,6]pyrido;GF 196960;ICOS 351;Tildenafil;UK 336017 |
CAS: | 171596-29-5 |
MF: | C22H19N3O4 |
MW: | 389.4 |
EINECS: | 687-782-2 |
Mol File: | 171596-29-5.mol |
Tadalafil Chemical Properties | |
Melting point | 298-300°C |
alpha | D20 +71.0° |
Boiling point | 679.1±55.0 °C(Predicted) |
density | 1.51±0.1 g/cm3(Predicted) |
Fp | 2℃ |
storage temp. | Sealed in dry,2-8°C |
solubility | DMSO: soluble20mg/mL, clear |
form | powder |
pka | 16.68±0.40(Predicted) |
color | white to beige |
optical activity | [α]/D +68 to +78°, c = 1 in chloroform-d |
BCS Class | 4 |
Stability: | Unstable in Methanol |
InChI | InChI=1S/C22H19N3O4/c1-24-10-19(26)25-16(22(24)27)9-14-13-4-2-3-5-15(13)23-20(14)21(25)12-6-7-17-18(8-12)29-11-28-17/h2-8,16,21,23H,9-11H2,1H3/t16-,21-/m1/s1 |
InChIKey | WOXKDUGGOYFFRN-IIBYNOLFSA-N |
SMILES | N1C2=C(C=CC=C2)C2C[C@]3([H])C(=O)N(C)CC(=O)N3[C@H](C3=CC=C4OCOC4=C3)C1=2 |
CAS DataBase Reference | 171596-29-5(CAS DataBase Reference) |
Tadalafil Basic information | |
Product Name: | Tadalafil |
Synonyms: | TADALAFIL;CIALIS;IC 351;(6R,12AR)-6-(benzo[d][1,3]dioxol-5-yl)-2-methyl-2,3,12,12a-tetrahydropyrazino[1',2':1,6]pyrido;GF 196960;ICOS 351;Tildenafil;UK 336017 |
CAS: | 171596-29-5 |
MF: | C22H19N3O4 |
MW: | 389.4 |
EINECS: | 687-782-2 |
Mol File: | 171596-29-5.mol |
Tadalafil Chemical Properties | |
Melting point | 298-300°C |
alpha | D20 +71.0° |
Boiling point | 679.1±55.0 °C(Predicted) |
density | 1.51±0.1 g/cm3(Predicted) |
Fp | 2℃ |
storage temp. | Sealed in dry,2-8°C |
solubility | DMSO: soluble20mg/mL, clear |
form | powder |
pka | 16.68±0.40(Predicted) |
color | white to beige |
optical activity | [α]/D +68 to +78°, c = 1 in chloroform-d |
BCS Class | 4 |
Stability: | Unstable in Methanol |
InChI | InChI=1S/C22H19N3O4/c1-24-10-19(26)25-16(22(24)27)9-14-13-4-2-3-5-15(13)23-20(14)21(25)12-6-7-17-18(8-12)29-11-28-17/h2-8,16,21,23H,9-11H2,1H3/t16-,21-/m1/s1 |
InChIKey | WOXKDUGGOYFFRN-IIBYNOLFSA-N |
SMILES | N1C2=C(C=CC=C2)C2C[C@]3([H])C(=O)N(C)CC(=O)N3[C@H](C3=CC=C4OCOC4=C3)C1=2 |
CAS DataBase Reference | 171596-29-5(CAS DataBase Reference) |