Details
| Stereochemistry | ABSOLUTE |
| Molecular Formula | C22H27N3O2.2C4H6O6 |
| Molecular Weight | 665.6424 |
| Optical Activity | UNSPECIFIED |
| Defined Stereocenters | 6 / 6 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
O[C@H]([C@@H](O)C(O)=O)C(O)=O.O[C@H]([C@@H](O)C(O)=O)C(O)=O.CCN(CC)C(=O)[C@H]1CN(C)[C@@H]2CC3=CN(C(C)=O)C4=C3C(=CC=C4)C2=C1
InChI
InChIKey=QWIVAQYEVJMBCZ-CMXURRDLSA-N
InChI=1S/C22H27N3O2.2C4H6O6/c1-5-24(6-2)22(27)16-10-18-17-8-7-9-19-21(17)15(13-25(19)14(3)26)11-20(18)23(4)12-16;2*5-1(3(7)8)2(6)4(9)10/h7-10,13,16,20H,5-6,11-12H2,1-4H3;2*1-2,5-6H,(H,7,8)(H,9,10)/t16-,20-;2*1-,2-/m111/s1
| Molecular Formula | C4H6O6 |
| Molecular Weight | 150.0868 |
| Charge | 0 |
| Count |
|
| Stereochemistry | ABSOLUTE |
| Additional Stereochemistry | No |
| Defined Stereocenters | 2 / 2 |
| E/Z Centers | 0 |
| Optical Activity | UNSPECIFIED |
| Molecular Formula | C22H27N3O2 |
| Molecular Weight | 365.4687 |
| Charge | 0 |
| Count |
|
| Stereochemistry | ABSOLUTE |
| Additional Stereochemistry | No |
| Defined Stereocenters | 2 / 2 |
| E/Z Centers | 0 |
| Optical Activity | UNSPECIFIED |
Approval Year
| Substance Class |
Chemical
Created
by
admin
on
Edited
Mon Mar 31 17:53:24 GMT 2025
by
admin
on
Mon Mar 31 17:53:24 GMT 2025
|
| Record UNII |
DWJ79LA7AK
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| Record Status |
Validated (UNII)
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| Record Version |
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DWJ79LA7AK
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63938-24-9
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3048718
Created by
admin on Mon Mar 31 17:53:24 GMT 2025 , Edited by admin on Mon Mar 31 17:53:24 GMT 2025
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| Related Record | Type | Details | ||
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PARENT -> SALT/SOLVATE |
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