Details
| Stereochemistry | ABSOLUTE |
| Molecular Formula | C23H20N2O5.3H2O |
| Molecular Weight | 458.4611 |
| Optical Activity | UNSPECIFIED |
| Defined Stereocenters | 1 / 1 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
O.O.O.CCC(=O)O[C@]1(CC)C(=O)OCC2=C1C=C3N(CC4=CC5=CC=CC=C5N=C34)C2=O
InChI
InChIKey=IYMREUZGKUWKHF-AQUVTFJZSA-N
InChI=1S/C23H20N2O5.3H2O/c1-3-19(26)30-23(4-2)16-10-18-20-14(9-13-7-5-6-8-17(13)24-20)11-25(18)21(27)15(16)12-29-22(23)28;;;/h5-10H,3-4,11-12H2,1-2H3;3*1H2/t23-;;;/m0.../s1
| Molecular Formula | H2O |
| Molecular Weight | 18.0153 |
| Charge | 0 |
| Count |
|
| Stereochemistry | ACHIRAL |
| Additional Stereochemistry | No |
| Defined Stereocenters | 0 / 0 |
| E/Z Centers | 0 |
| Optical Activity | NONE |
| Molecular Formula | C23H20N2O5 |
| Molecular Weight | 404.4153 |
| 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 18:09:42 UTC 2023
by
admin
on
Sat Dec 16 18:09:42 UTC 2023
|
| Record UNII |
TR4HR67FMA
|
| Record Status |
Validated (UNII)
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| Record Version |
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-
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Common Name | English |
| Code System | Code | Type | Description | ||
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1147090-70-7
Created by
admin on Sat Dec 16 18:09:43 UTC 2023 , Edited by admin on Sat Dec 16 18:09:43 UTC 2023
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TR4HR67FMA
Created by
admin on Sat Dec 16 18:09:43 UTC 2023 , Edited by admin on Sat Dec 16 18:09:43 UTC 2023
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PRIMARY | |||
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25263729
Created by
admin on Sat Dec 16 18:09:43 UTC 2023 , Edited by admin on Sat Dec 16 18:09:43 UTC 2023
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PRIMARY |
| Related Record | Type | Details | ||
|---|---|---|---|---|
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PARENT -> SALT/SOLVATE |
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ANHYDROUS->SOLVATE |
| Related Record | Type | Details | ||
|---|---|---|---|---|
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ACTIVE MOIETY |
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