| Stereochemistry | ABSOLUTE |
| Molecular Formula | C19H21NO3.C2H2O4.H2O |
| Molecular Weight | 419.4251 |
| Optical Activity | UNSPECIFIED |
| Defined Stereocenters | 3 / 3 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
O.OC(=O)C(O)=O.COC1=CC=C2[C@H]3CC4=C5C(O[C@@H]1[C@@]25CCN3C)=C(OC)C=C4
InChI
InChIKey=LMZYFGOYYLQNRI-GBTORLPQSA-N
InChI=1S/C19H21NO3.C2H2O4.H2O/c1-20-9-8-19-12-5-7-15(22-3)18(19)23-17-14(21-2)6-4-11(16(17)19)10-13(12)20;3-1(4)2(5)6;/h4-7,13,18H,8-10H2,1-3H3;(H,3,4)(H,5,6);1H2/t13-,18+,19+;;/m1../s1
| Molecular Formula | H2O |
| Molecular Weight | 18.0153 |
| Charge | 0 |
| Count |
MOL RATIO
1 MOL RATIO (average) |
| Stereochemistry | ACHIRAL |
| Additional Stereochemistry | No |
| Defined Stereocenters | 0 / 0 |
| E/Z Centers | 0 |
| Optical Activity | NONE |
| Molecular Formula | C2H2O4 |
| Molecular Weight | 90.0349 |
| Charge | 0 |
| Count |
MOL RATIO
1 MOL RATIO (average) |
| Stereochemistry | ACHIRAL |
| Additional Stereochemistry | No |
| Defined Stereocenters | 0 / 0 |
| E/Z Centers | 0 |
| Optical Activity | NONE |
| Molecular Formula | C19H21NO3 |
| Molecular Weight | 311.3749 |
| Charge | 0 |
| Count |
MOL RATIO
1 MOL RATIO (average) |
| Stereochemistry | ABSOLUTE |
| Additional Stereochemistry | No |
| Defined Stereocenters | 3 / 3 |
| E/Z Centers | 0 |
| Optical Activity | UNSPECIFIED |
Approval Year
Targets
| Primary Target | Pharmacology | Condition | Potency |
|---|---|---|---|
| 5.6 µM [EC50] |
