Details
| Stereochemistry | ABSOLUTE |
| Molecular Formula | C20H25ClN2O5.C20H18O8 |
| Molecular Weight | 795.228 |
| Optical Activity | UNSPECIFIED |
| Defined Stereocenters | 3 / 3 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
CCOC(=O)C1=C(COCCN)NC(C)=C([C@@H]1C2=C(Cl)C=CC=C2)C(=O)OC.CC3=CC=C(C=C3)C(=O)O[C@@H]([C@H](OC(=O)C4=CC=C(C)C=C4)C(O)=O)C(O)=O
InChI
InChIKey=DGMFRGMUDAJQAA-CJSNSBGFSA-N
InChI=1S/C20H25ClN2O5.C20H18O8/c1-4-28-20(25)18-15(11-27-10-9-22)23-12(2)16(19(24)26-3)17(18)13-7-5-6-8-14(13)21;1-11-3-7-13(8-4-11)19(25)27-15(17(21)22)16(18(23)24)28-20(26)14-9-5-12(2)6-10-14/h5-8,17,23H,4,9-11,22H2,1-3H3;3-10,15-16H,1-2H3,(H,21,22)(H,23,24)/t17-;15-,16-/m00/s1
| Molecular Formula | C20H18O8 |
| Molecular Weight | 386.3521 |
| Charge | 0 |
| Count |
|
| Stereochemistry | ABSOLUTE |
| Additional Stereochemistry | No |
| Defined Stereocenters | 2 / 2 |
| E/Z Centers | 0 |
| Optical Activity | UNSPECIFIED |
| Molecular Formula | C20H25ClN2O5 |
| Molecular Weight | 408.876 |
| Charge | 0 |
| Count |
|
| Stereochemistry | ABSOLUTE |
| Additional Stereochemistry | No |
| Defined Stereocenters | 1 / 1 |
| E/Z Centers | 0 |
| Optical Activity | UNSPECIFIED |
Approval Year
| Substance Class |
Chemical
Created
by
admin
on
Edited
Wed Apr 02 17:11:07 GMT 2025
by
admin
on
Wed Apr 02 17:11:07 GMT 2025
|
| Record UNII |
CZW6TVX2MM
|
| Record Status |
Validated (UNII)
|
| Record Version |
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-
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71313380
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DTXSID40747028
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CZW6TVX2MM
Created by
admin on Wed Apr 02 17:11:07 GMT 2025 , Edited by admin on Wed Apr 02 17:11:07 GMT 2025
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