Letrozole
CAS Number: 112809-51-5
Molecular Mass: 285.3 g/mol
Formula: C17H11N5
Smiles: N#Cc1ccc(C(c2ccc(C#N)cc2)n2cncn2)cc1
Synonymes:
Letrozole, letrozole, 112809-51-5, Femara, Letrozol, CGS 20267, CGS-20267, Benzonitrile, 4,4'-(1H-1,2,4-triazol-1-ylmethylene)bis-, 4-[(4-cyanophenyl)-(1,2,4-triazol-1-yl)methyl]benzonitrile, 4,4'-(1H-1,2,4-Triazol-1-ylmethylene)dibenzonitrile, DTXSID4023202, CGS20267, NSC-759652, 7LKK855W8I, 4-[(4-CYANOPHENYL)(1H-1,2,4-TRIAZOL-1-YL)METHYL]BENZONITRILE, CHEBI:6413, DTXCID503202, NSC719345, KISQALI FEMARA CO-PACK COMPONENT LETROZOLE, letrozolum, 4-((4-cyanophenyl)-(1,2,4-triazol-1-yl)methyl)benzonitrile, 4-((4-cyanophenyl)(1H-1,2,4-triazol-1-yl)methyl)benzonitrile, Letrozole Tablets, 4,4'-(1H-1,2,4-triazol-1-yl-methylene)-bis(benzonitrile), RefChem:55460, L02BG04, 4,4'-(1H-1,2,4triazol-1-ylmethylene)dibenzonitrile, 675-034-8, 4,4'-((1h-1,2,4-triazol-1-yl)methylene)dibenzonitrile, C17H11N5, 4,4'-(1h-1,2,4-triazol-1-ylmethylene)bisbenzonitrile, 4,4'-(1H-1,2,4-triazol-1-ylmethanediyl)dibenzonitrile, 1-[bis(4-cyanophenyl)methyl]-1,2,4-triazole, CHEMBL1444, MFCD00866241, NCGC00016973-01, Letoval, CAS-112809-51-5, SMR000466343, Femara (TN), LETRAZOLE, HSDB 7461, SR-01000759382, 4,4'-[(1H-1,2,4-Triazol-1-yl)methylene]dibenzonitrile, Letrozole (JAN/USP/INN), UNII-7LKK855W8I, 4,4'-(1h-1,2,4-triazol-1-ylmethylene)bis-benzonitrile, CCRIS 8822, Letrozole?, Letrozole CRS, FEM-345, Femara, Letrozole, Letrozole [USAN:USP:INN:BAN], Letrozole (Standard), 4,4'-(1h-1,2,4-triazol-1-ylmethylene) bis-benzonitrile, LETROZOLE [INN], LETROZOLE [JAN], LETROZOLE [MI], LETROZOLE [HSDB], LETROZOLE [USAN], Prestwick0_001025, Prestwick1_001025, Prestwick2_001025, Prestwick3_001025, Femara (TN) (Novartis), LETROZOLE [MART.], LETROZOLE [USP-RS], LETROZOLE [WHO-DD], SCHEMBL4331, 1-[Bis-(4-cyanophenyl)methyl]-1,2,4-triazole, BIDD:PXR0130, BSPBio_001209, MLS000759455, MLS001424038, MLS002584991, MLS006010040, BIDD:GT0015, Letrozole - Bio-X trade mark, SPBio_003070, BPBio1_001331, GTPL5209, orb1308084, LETROZOLE [EP IMPURITY], LETROZOLE [ORANGE BOOK], LETROZOLE [EP MONOGRAPH], Letrozole, >=98% (HPLC), BDBM13061, EX-A965, LETROZOLE [USP MONOGRAPH], GLXC-05072, HMS1571M11, HMS2051E08, HMS2089L22, HMS2098M11, HMS2233C23, HMS3369E11, HMS3393E08, HMS3651K05, HMS3715M11, HMS5079O19, Pharmakon1600-01502354, IVB71296, MSK10362, Tox21_110719, Tox21_303572, EBC-04408, HY-14248R, NSC759652, s1235, STL451047, AKOS005145822, AB07525, AC-1193, CCG-100849, CS-1776, DB01006, FL24873, KS-1269, NC00099, NSC 759652, NSC-719345, NCGC00016973-02, NCGC00016973-03, NCGC00016973-06, NCGC00257460-01, BL164620, HY-14248, 1-Bis(4-cyanophenyl)methyl-1,2,4-triazole, 4,2,4-Triazol-1-ylmethylene)dibenzonitrile, AB00514009, L0248, NS00000663, SW197294-4, C08163, D00964, EN300-264820, AB00514009-05, AB00514009-07, AB00514009-08, AB00514009-09, AB00514009_10, AB00514009_11, F036495, Q194974, W-60273, 4,4'-(1,2,4-Triazol-1-ylmethylene)dibenzonitrile, Q-201291, SR-01000759382-4, SR-01000759382-5, BRD-K88789588-001-03-2, BRD-K88789588-001-14-9, 4,4 -(1H-1,2,4-triazol-1-ylmethanediyl)dibenzonitrile, F2173-0288, Z1741968261, 4,4'-((1H-1,2,4-Triazol-1-yl)-methylene)dibenzonitrile, 4,4'-(1H-1,2,4-Triazol-1-ylmethylene)bis[benzonitrile], Letrozole, European Pharmacopoeia (EP) Reference Standard, Letrozole, United States Pharmacopeia (USP) Reference Standard, TRANS-1-(4-BUTYL-CYCLOHEXYL)-4-ETHOXY-2,3-DIFLUORO-BENZENE, 4-[1-(4-CYANOPHENYL)-1-(1,2,4-TRIAZOL-1-YL)METHYL]BENZONITRILE, Letrozole, Pharmaceutical Secondary Standard, Certified Reference Material, CGS 20267, Femara, Lerozole, Letrazole, 4,4'-((1H-1,2,4-triazol-1-yl)methylene)dibenzonitrile
Bioactivity: -
Solubility in Different Solvents
| Solvent | Temperature [K] | Crystal form | Solubility [mg/mL] | Reference |
|---|---|---|---|---|
| 1-Propanol | 283.15 | - | 1.355 | [163] |
| 1-Propanol | 288.15 | - | 1.769 | [163] |
| 1-Propanol | 293.15 | - | 2.29 | [163] |
| 1-Propanol | 298.15 | - | 2.938 | [163] |
| 1-Propanol | 303.15 | - | 3.739 | [163] |
| 1-Propanol | 308.15 | - | 4.718 | [163] |
| 1-Propanol | 313.15 | - | 5.912 | [163] |
| 1-Propanol | 318.15 | - | 7.348 | [163] |
| 1-Propanol | 323.15 | - | 9.077 | [163] |
| Acetone | 283.15 | - | 58.86 | [163] |
| Acetone | 288.15 | - | 66.64 | [163] |
| Acetone | 293.15 | - | 75.09 | [163] |
| Acetone | 298.15 | - | 84.43 | [163] |
| Acetone | 303.15 | - | 94.46 | [163] |
| Acetone | 308.15 | - | 105.3 | [163] |
| Acetone | 313.15 | - | 117.0 | [163] |
| Acetone | 318.15 | - | 129.6 | [163] |
| Acetone | 323.15 | - | 143.2 | [163] |
| Acetonitrile | 283.15 | - | 35.38 | [163] |
| Acetonitrile | 288.15 | - | 42.48 | [163] |
| Acetonitrile | 293.15 | - | 50.67 | [163] |
| Acetonitrile | 298.15 | - | 60.1 | [163] |
| Acetonitrile | 303.15 | - | 70.88 | [163] |
| Acetonitrile | 308.15 | - | 83.08 | [163] |
| Acetonitrile | 313.15 | - | 96.98 | [163] |
| Acetonitrile | 318.15 | - | 112.7 | [163] |
| Acetonitrile | 323.15 | - | 130.4 | [163] |
| Ethanol | 283.15 | - | 2.253 | [163] |
| Ethanol | 288.15 | - | 2.883 | [163] |
| Ethanol | 293.15 | - | 3.66 | [163] |
| Ethanol | 298.15 | - | 4.607 | [163] |
| Ethanol | 303.15 | - | 5.752 | [163] |
| Ethanol | 308.15 | - | 7.127 | [163] |
| Ethanol | 313.15 | - | 8.772 | [163] |
| Ethanol | 318.15 | - | 10.72 | [163] |
| Ethanol | 323.15 | - | 13.02 | [163] |
| Ethyl acetate | 283.15 | - | 15.65 | [163] |
| Ethyl acetate | 288.15 | - | 17.98 | [163] |
| Ethyl acetate | 293.15 | - | 20.56 | [163] |
| Ethyl acetate | 298.15 | - | 23.42 | [163] |
| Ethyl acetate | 303.15 | - | 26.54 | [163] |
| Ethyl acetate | 308.15 | - | 29.96 | [163] |
| Ethyl acetate | 313.15 | - | 33.66 | [163] |
| Ethyl acetate | 318.15 | - | 37.72 | [163] |
| Ethyl acetate | 323.15 | - | 42.08 | [163] |
| Methanol | 283.15 | - | 7.705 | [163] |
| Methanol | 288.15 | - | 9.435 | [163] |
| Methanol | 293.15 | - | 11.48 | [163] |
| Methanol | 298.15 | - | 13.88 | [163] |
| Methanol | 303.15 | - | 16.66 | [163] |
| Methanol | 308.15 | - | 19.88 | [163] |
| Methanol | 313.15 | - | 23.59 | [163] |
| Methanol | 318.15 | - | 27.83 | [163] |
| Methanol | 323.15 | - | 32.66 | [163] |
| Methyl acetate | 283.15 | - | 38.66 | [163] |
| Methyl acetate | 288.15 | - | 43.64 | [163] |
| Methyl acetate | 293.15 | - | 49.05 | [163] |
| Methyl acetate | 298.15 | - | 54.91 | [163] |
| Methyl acetate | 303.15 | - | 61.24 | [163] |
| Methyl acetate | 308.15 | - | 68.06 | [163] |
| Methyl acetate | 313.15 | - | 75.35 | [163] |
| Methyl acetate | 318.15 | - | 83.06 | [163] |
| Methyl acetate | 323.15 | - | 91.5 | [163] |
| Tetrahydrofuran | 283.15 | - | 59.33 | [163] |
| Tetrahydrofuran | 288.15 | - | 66.29 | [163] |
| Tetrahydrofuran | 293.15 | - | 73.75 | [163] |
| Tetrahydrofuran | 298.15 | - | 81.79 | [163] |
| Tetrahydrofuran | 303.15 | - | 90.38 | [163] |
| Tetrahydrofuran | 308.15 | - | 99.56 | [163] |
| Tetrahydrofuran | 313.15 | - | 109.4 | [163] |
| Tetrahydrofuran | 318.15 | - | 119.8 | [163] |
| Tetrahydrofuran | 323.15 | - | 130.8 | [163] |
Molecule 3D descriptors
| Descriptor | Value |
|---|---|
| PMI1 | 1403.5637 |
| PMI2 | 2806.3042 |
| PMI3 | 3842.2806 |
| NPR1 | 0.3653 |
| NPR2 | 0.7304 |
| RadiusOfGyration | 3.7565 |
| InertialShapeFactor | 0.0005 |
| Eccentricity | 0.9309 |
| Asphericity | 0.2773 |
| SpherocityIndex | 0.2799 |
| PBF | 0.9635 |