Details
| Stereochemistry | ABSOLUTE |
| Molecular Formula | C20H25ClN2O5.C7H6O4 |
| Molecular Weight | 562.996 |
| Optical Activity | ( - ) |
| Defined Stereocenters | 1 / 1 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
OC(=O)C1=CC(O)=CC=C1O.CCOC(=O)C2=C(COCCN)NC(C)=C([C@@H]2C3=CC=CC=C3Cl)C(=O)OC
InChI
InChIKey=LLDSEVAJXHNUAJ-LMOVPXPDSA-N
InChI=1S/C20H25ClN2O5.C7H6O4/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;8-4-1-2-6(9)5(3-4)7(10)11/h5-8,17,23H,4,9-11,22H2,1-3H3;1-3,8-9H,(H,10,11)/t17-;/m0./s1
| Molecular Formula | C7H6O4 |
| Molecular Weight | 154.1201 |
| Charge | 0 |
| Count |
|
| Stereochemistry | ACHIRAL |
| Additional Stereochemistry | No |
| Defined Stereocenters | 0 / 0 |
| E/Z Centers | 0 |
| Optical Activity | NONE |
| 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
Sat Dec 16 10:26:18 UTC 2023
by
admin
on
Sat Dec 16 10:26:18 UTC 2023
|
| Record UNII |
4X8086K40B
|
| Record Status |
Validated (UNII)
|
| Record Version |
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-
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4X8086K40B
Created by
admin on Sat Dec 16 10:26:18 UTC 2023 , Edited by admin on Sat Dec 16 10:26:18 UTC 2023
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856256-16-1
Created by
admin on Sat Dec 16 10:26:18 UTC 2023 , Edited by admin on Sat Dec 16 10:26:18 UTC 2023
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11387444
Created by
admin on Sat Dec 16 10:26:18 UTC 2023 , Edited by admin on Sat Dec 16 10:26:18 UTC 2023
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PRIMARY |
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ACTIVE MOIETY |
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