| Stereochemistry | ABSOLUTE |
| Molecular Formula | 2C12H18N2O.C6H10O8 |
| Molecular Weight | 622.707 |
| Optical Activity | UNSPECIFIED |
| Defined Stereocenters | 6 / 6 |
| E/Z Centers | 2 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
O[C@@H]([C@@H](O)[C@H](O)C(O)=O)[C@@H](O)C(O)=O.CN[C@@H](C)C\C=C\C1=CC(OC)=CN=C1.CN[C@@H](C)C\C=C\C2=CC(OC)=CN=C2
InChI
InChIKey=FLQBNKVEDURVOS-MGBSAVTRSA-N
InChI=1S/2C12H18N2O.C6H10O8/c2*1-10(13-2)5-4-6-11-7-12(15-3)9-14-8-11;7-1(3(9)5(11)12)2(8)4(10)6(13)14/h2*4,6-10,13H,5H2,1-3H3;1-4,7-10H,(H,11,12)(H,13,14)/b2*6-4+;/t2*10-;1-,2+,3+,4-/m00./s1
| Molecular Formula | C6H10O8 |
| Molecular Weight | 210.1388 |
| Charge | 0 |
| Count |
MOL RATIO
1 MOL RATIO (average) |
| Stereochemistry | ACHIRAL |
| Additional Stereochemistry | No |
| Defined Stereocenters | 4 / 4 |
| E/Z Centers | 0 |
| Optical Activity | UNSPECIFIED |
| StereoComments | meso |
| Molecular Formula | C12H18N2O |
| Molecular Weight | 206.2841 |
| Charge | 0 |
| Count |
MOL RATIO
2 MOL RATIO (average) |
| Stereochemistry | ABSOLUTE |
| Additional Stereochemistry | No |
| Defined Stereocenters | 1 / 1 |
| E/Z Centers | 1 |
| Optical Activity | UNSPECIFIED |
Approval Year
|
|
PARENT -> SALT/SOLVATE |
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