| Stereochemistry | ABSOLUTE |
| Molecular Formula | C23H31N3O2.C7H6O2.H2O |
| Molecular Weight | 521.6478 |
| Optical Activity | UNSPECIFIED |
| Defined Stereocenters | 2 / 2 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
O.OC(=O)C1=CC=CC=C1.CCCNC(=O)C2=CC=C(C=C2)N(C)[C@H](CN3CC[C@H](O)C3)C4=CC=CC=C4
InChI
InChIKey=ULOWTTTYRLYRPW-VSIGASKDSA-N
InChI=1S/C23H31N3O2.C7H6O2.H2O/c1-3-14-24-23(28)19-9-11-20(12-10-19)25(2)22(18-7-5-4-6-8-18)17-26-15-13-21(27)16-26;8-7(9)6-4-2-1-3-5-6;/h4-12,21-22,27H,3,13-17H2,1-2H3,(H,24,28);1-5H,(H,8,9);1H2/t21-,22+;;/m0../s1
| Molecular Formula | C23H31N3O2 |
| Molecular Weight | 381.5111 |
| Charge | 0 |
| Count |
MOL RATIO
1 MOL RATIO (average) |
| Stereochemistry | ABSOLUTE |
| Additional Stereochemistry | No |
| Defined Stereocenters | 2 / 2 |
| E/Z Centers | 0 |
| Optical Activity | UNSPECIFIED |
| Molecular Formula | C7H6O2 |
| Molecular Weight | 122.1213 |
| 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 | 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 |
