Tadalafil
CAS Number: 171596-29-5
Molecular Mass: 389.4 g/mol
Formula: C22H19N3O4
Smiles: CN1CC(=O)N2[C@H](c3ccc4c(c3)OCO4)c3[nH]c4ccccc4c3C[C@@H]2C1=O
Synonymes:
Tadalafil, Cialis, 171596-29-5, Ic351, ADCIRCA, IC 351, IC-351, Tadalafilo, Tadalafil mylan, Trans-tadalafil, CHEWTADZY, 742SXX0ICT, NSC-750236, NSC-759172, DTXSID9046786, LY-450190, (6R,12aR)-2,3,6,7,12,12a-Hexahydro-2-methyl-6-(3,4-(methylenedioxy)phenyl) pyrazino(1',2':1,6)pyrido(3,4-b)indole-1,4-dione, (6R-trans)-6-(1,3-Benzodioxol-5-yl)-2,3,6,7,12,12a-hexahydro-2-methyl-pyrazino(1',2':1,6)pyrido(3,4-b)indole-1,4-dione, LY450190, (6R,12aR)-2,3,6,7,12,12a-Hexahydro-2-methyl-6-(3,4-methylenedioxyphenyl)pyrazino(1',2':1,6)pyrido(3,4-b)indole-1,4-dione, DTXCID7026786, CHEBI:71940, ENTADFI COMPONENT TADALAFIL, OPSYNVI COMPONENT TADALAFIL, Pyrazino(1',2':1,6)pyrido(3,4-b)indole-1,4-dione, 6-(1,3-benzodioxol-5-yl)-2,3,6,7,12,12a-hexahydro-2-methyl-, (6R,12aR)-, Pyrazino(1',2':1,6)pyrido(3,4-b)indole-1,4-dione, 6-(1,3-benzodioxol-5-yl)-2,3,6,7,12,12a-hexahydro-2-methyl-, (6R-trans)-, Pyrazino[1',2':1,6]pyrido[3,4-b]indole-1,4-dione, 6-(1,3-benzodioxol-5-yl)-2,3,6,7,12,12a-hexahydro-2-methyl-, (6R,12aR)-, tadalafilum, (2R,8R)-2-(2H-1,3-benzodioxol-5-yl)-6-methyl-3,6,17-triazatetracyclo(8.7.0.0^(3,8).0^(11,16))heptadeca-1(10),11,13,15-tetraene-4,7-dione, (2R,8R)-2-(2H-1,3-benzodioxol-5-yl)-6-methyl-3,6,17-triazatetracyclo[8.7.0.0^{3,8}.0^{11,16}]heptadeca-1(10),11,13,15-tetraene-4,7-dione, Pyrazino[1',2':1,6]pyrido[3,4-b]indole-1,4-dione, 6-(1,3-benzodioxol-5-yl)-2,3,6,7,12,12a-hexahydro-2-methyl-, (6R-trans)-, ALYQ, TADLIQ, RefChem:6280, G04BE08, (6R,12aR)-6-(Benzo[d][1,3]dioxol-5-yl)-2-methyl-2,3,12,12a-tetrahydropyrazino[1',2':1,6]pyrido[3,4-b]indole-1,4(6H,7H)-dione, ICOS 351, Tadanafil, GF 196960, Tadalafil(Cialis), MFCD07771966, CHEMBL779, GF-196960, (6R,12aR)-6-(benzo[d][1,3]dioxol-5-yl)-2-methyl-2,3,6,7,12,12a-hexahydropyrazino[1',2':1,6]pyrido[3,4-b]indole-1,4-dione, (6R,12aR)-6-(1,3-Benzodioxol-5-yl)-2,3,6,7,12,12a-hexahydro-2-methylpyrazino[1',2':1,6]pyrido[3,4-b]indole-1,4-dione, Tadalafil [USAN], C22H19N3O4, (2R,8R)-2-(1,3-benzodioxol-5-yl)-6-methyl-3,6,17-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),11,13,15-tetraene-4,7-dione, 6-BENZO[1,3]DIOXOL-5-YL-2-METHYL-2,3,6,7,12,12A-HEXAHYDRO-PYRAZINO[1',2':1,6]PYRIDO[3,4-B]INDOLE-1,4-DIONE, Tadalafil Lilly, (6R,12aR)-6-(1,3-benzodioxol-5-yl)-2-methyl-2,3,6,7,12,12a-hexahydropyrazino[1',2':1,6]pyrido[3,4-b]indole-1,4-dione, CIA, SMR000466321, Cialis (TN), CAS-171596-29-5, HSDB 7303, UNII-742SXX0ICT, Tadalafila, Tadalafil [USAN:INN:BAN], Tadalafil bulk, Tadalafil?, Tadalafil API, Tadalafil CRS, Tadalafil USP, 1xoz, Cialis, Tadalafil, Tadalafil anhydrous, NCGC00168781-01, Adcirca (TN), Tadalafil (Cialis), Zalutia (TN), Tadalafil raw powder, Tadalafil (Standard), KS-1117, TADALAFIL [INN], TADALAFIL [JAN], TADALAFIL [MI], TADALAFIL, CIALIS, TADALAFIL [HSDB], TADALAFIL [VANDF], (-)-Tadalafil (6R), TADALAFIL [MART.], TADALAFIL [USP-RS], TADALAFIL [WHO-DD], Tadalafil (JAN/USP/INN), SCHEMBL33333, TADALAFIL [EMA EPAR], MLS000759426, MLS001165782, MLS001195644, MLS001424132, MLS006010126, Tadalafil - Bio-X trade mark, GTPL7299, orb1308738, orb3140154, TADALAFIL [ORANGE BOOK], SCHEMBL29358190, SCHEMBL29427554, TADALAFIL [EP MONOGRAPH], BDBM14777, TADALAFIL [USP MONOGRAPH], GLXC-07318, HMS2051N17, HMS2235L21, HMS3884G19, HY-90009AR, Pharmakon1600-01505639, EX-A2644, MSK10246, Tox21_112642, EBC-09118, HY-90009A, NSC750236, NSC759172, s1512, Tadalafil 1.0 mg/ml in Acetonitrile, AKOS015892559, Tox21_112642_1, AB42193, CCG-100973, CS-1414, DB00820, FB02802, NC00223, NSC 750236, NSC 759172, 1,3-benzodioxol-5-yl(methyl)[?]dione, NCGC00263909-02, Tadalafil 100 microg/mL in Acetonitrile, BT164435, NS00006532, SW197603-2, D02008, AB00639969-08, AB00639969_09, AB00639969_10, AR-270/43507798, Q424156, SR-05000001940, SR-05000001940-1, BRD-K93645900-001-04-8, BRD-K93645900-001-11-3, BRD-K93645900-001-12-1, Z1501485354, (2R,8R)-2-(2H-1,3-benzodioxol-5-yl)-6-methyl-3,6,17-triazatetracyclo[8.7.0.0^{3,8}.0^{11,16}]heptadeca-1(10),11(16),12,14-tetraene-4,7-dione, (6R,12 aR)-6-(1,3-benzodioxol-5-yl)-2,3,6,7,12,12a-hexahydro-2-methylpyrazino[1',2':1,6]pyrido[3,4-b]indole-1,4-dione, (6R,12?R)-6-(Benzo[d][1,3]dioxol-5-yl)-2-methyl-2,3,12,12?-tetrahydropyrazino[1',2':1,6]pyrido[3,4-?]indole-1,4(6H,7H)-dione, (6R,12aR) 6-(1,3-benzodioxol-5-yl)-2,3,6,7,12,12a-hexahydro-2-methylpyrazino [1',2':1,6] pyrido[3,4-b]indole-1,4-dione, (6R,12aR) 6-(1,3-benzodioxol-5-yl)-2,3,6,7,12,12a-hexahydro-2-methylpyrazino[1',2':1,6]pyrido[3,4-b]indole-1,4-dione, (6R,12aR)-6-(1,3-Benzodioxol-5-yl)-2,3,6,7,12,12a-hexahydro-2-methylpyrazino[1,2:1,6]pyrido[3,4-b]indole-1,4-dione, (6R,12aR)-6-(1,3-benzodioxol-5-yl)-2-methyl-2,3,6,7,12,12a-hexahydropyrazino[1,2,1,6]pyrido[3,4-b]indole-1,4-dione, (6R,12aR)-6-(2H-1,3-Benzodioxol-5-yl)-2-methyl-2,3,6,7,12,12a-hexahydropyrazino[1',2':1,6]pyrido[3,4-b]indole-1,4-dione, (6R,3,6,7,12,12a-Hexahydro-2-methyl-6-[3,4-(methylenedioxy)phenyl]pyrazino[1',2':1,6]pyrido[3,4-b]indole-1,4-dione, 1242099-07-5, 171488-03-2, 6-(1,3-benzodioxol-5-yl)-2-methyl-2,3,6,7,12,12a-hexahydropyrazino[2',1':6,1]pyrido[3,4-b]indole-1,4-dione, Pyrazino[1',6]pyrido[3,4-b]indole-1,4-dione, 6-(1,3-benzodioxol-5-yl)-2,3,6,7,12,12ahexahydro-2-methyl-, (6R,12aR)-, rel-(6R,12aR)-6-(Benzo[d][1,3]dioxol-5-yl)-2-methyl-2,3,12,12a-tetrahydropyrazino[1',2':1,6]pyrido[3,4-b]indole-1,4(6H,7H)-dione
Bioactivity: -
Solubility in Different Solvents
| Solvent | Temperature [K] | Crystal form | Solubility [mg/mL] | Reference |
|---|---|---|---|---|
| Diethylene Glycol Monoethyl Ether | 298.15 | - | 25.22 | [460] |
| Diethylene Glycol Monoethyl Ether | 303.15 | - | 27.91 | [460] |
| Diethylene Glycol Monoethyl Ether | 308.15 | - | 30.58 | [460] |
| Diethylene Glycol Monoethyl Ether | 313.15 | - | 33.89 | [460] |
| Diethylene Glycol Monoethyl Ether | 318.15 | - | 37.76 | [460] |
| Diethylene Glycol Monoethyl Ether | 323.15 | - | 42.17 | [460] |
| Diethylene Glycol Monoethyl Ether | 328.15 | - | 46.84 | [460] |
| Diethylene Glycol Monoethyl Ether | 333.15 | - | 51.2 | [460] |
| Water | 298.15 | - | 0.01237 | [460] |
| Water | 303.15 | - | 0.01633 | [460] |
| Water | 308.15 | - | 0.02192 | [460] |
| Water | 313.15 | - | 0.02874 | [460] |
| Water | 318.15 | - | 0.03746 | [460] |
| Water | 323.15 | - | 0.04827 | [460] |
| Water | 328.15 | - | 0.05902 | [460] |
| Water | 333.15 | - | 0.07332 | [460] |
Molecule 3D descriptors
| Descriptor | Value |
|---|---|
| PMI1 | 2894.3647 |
| PMI2 | 3539.8491 |
| PMI3 | 5816.6860 |
| NPR1 | 0.4976 |
| NPR2 | 0.6086 |
| RadiusOfGyration | 3.9661 |
| InertialShapeFactor | 0.0002 |
| Eccentricity | 0.8674 |
| Asphericity | 0.1884 |
| SpherocityIndex | 0.1802 |
| PBF | 0.8552 |