Details
| Stereochemistry | ABSOLUTE |
| Molecular Formula | C22H19ClF3NO5.C3H4O4 |
| Molecular Weight | 573.9 |
| Optical Activity | UNSPECIFIED |
| Defined Stereocenters | 2 / 2 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
OC(=O)CC(O)=O.CN1CC[C@H]([C@@H]1CO)C2=C3OC(=CC(=O)C3=C(O)C=C2O)C4=CC=C(C=C4Cl)C(F)(F)F
InChI
InChIKey=OMFFALALROLOOU-OJMBIDBESA-N
InChI=1S/C22H19ClF3NO5.C3H4O4/c1-27-5-4-12(14(27)9-28)19-15(29)7-16(30)20-17(31)8-18(32-21(19)20)11-3-2-10(6-13(11)23)22(24,25)26;4-2(5)1-3(6)7/h2-3,6-8,12,14,28-30H,4-5,9H2,1H3;1H2,(H,4,5)(H,6,7)/t12-,14+;/m1./s1
| Molecular Formula | C22H19ClF3NO5 |
| Molecular Weight | 469.838 |
| Charge | 0 |
| Count |
|
| Stereochemistry | ABSOLUTE |
| Additional Stereochemistry | No |
| Defined Stereocenters | 2 / 2 |
| E/Z Centers | 0 |
| Optical Activity | ( + ) |
| Molecular Formula | C3H4O4 |
| Molecular Weight | 104.0615 |
| Charge | 0 |
| Count |
|
| Stereochemistry | ACHIRAL |
| Additional Stereochemistry | No |
| Defined Stereocenters | 0 / 0 |
| E/Z Centers | 0 |
| Optical Activity | NONE |
Approval Year
| Substance Class |
Chemical
Created
by
admin
on
Edited
Sat Dec 16 19:16:25 UTC 2023
by
admin
on
Sat Dec 16 19:16:25 UTC 2023
|
| Record UNII |
ZPF5FLN7WY
|
| Record Status |
Validated (UNII)
|
| Record Version |
|
-
Download
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Systematic Name | English |
| Code System | Code | Type | Description | ||
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ZPF5FLN7WY
Created by
admin on Sat Dec 16 19:16:25 UTC 2023 , Edited by admin on Sat Dec 16 19:16:25 UTC 2023
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PRIMARY | |||
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2505206-37-9
Created by
admin on Sat Dec 16 19:16:25 UTC 2023 , Edited by admin on Sat Dec 16 19:16:25 UTC 2023
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164512937
Created by
admin on Sat Dec 16 19:16:25 UTC 2023 , Edited by admin on Sat Dec 16 19:16:25 UTC 2023
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PRIMARY |
| Related Record | Type | Details | ||
|---|---|---|---|---|
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PARENT -> SALT/SOLVATE |
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| Related Record | Type | Details | ||
|---|---|---|---|---|
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ACTIVE MOIETY |
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