Details
| Stereochemistry | ABSOLUTE |
| Molecular Formula | C24H26N2O5.3H2O |
| Molecular Weight | 476.5195 |
| Optical Activity | UNSPECIFIED |
| Defined Stereocenters | 3 / 3 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
O.O.O.COC(=O)C1=CO[C@@H](C)[C@H](COC(C)=O)[C@@H]1CC2=C3N(C)C4=CC=CC=C4C3=CC=N2
InChI
InChIKey=MCGHEKJRLIEUIK-HDTQAHQWSA-N
InChI=1S/C24H26N2O5.3H2O/c1-14-19(12-31-15(2)27)18(20(13-30-14)24(28)29-4)11-21-23-17(9-10-25-21)16-7-5-6-8-22(16)26(23)3;;;/h5-10,13-14,18-19H,11-12H2,1-4H3;3*1H2/t14-,18-,19-;;;/m0.../s1
| Molecular Formula | C24H26N2O5 |
| Molecular Weight | 422.4736 |
| Charge | 0 |
| Count |
|
| Stereochemistry | ABSOLUTE |
| Additional Stereochemistry | No |
| Defined Stereocenters | 3 / 3 |
| E/Z Centers | 0 |
| Optical Activity | UNSPECIFIED |
| 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 |
Approval Year
| Substance Class |
Chemical
Created
by
admin
on
Edited
Mon Mar 31 22:36:15 GMT 2025
by
admin
on
Mon Mar 31 22:36:15 GMT 2025
|
| Record UNII |
05UIS99TWG
|
| Record Status |
Validated (UNII)
|
| Record Version |
|
-
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Preferred Name | English | ||
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m1581
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admin on Mon Mar 31 22:36:15 GMT 2025 , Edited by admin on Mon Mar 31 22:36:15 GMT 2025
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PRIMARY | Merck Index | ||
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25442-92-6
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admin on Mon Mar 31 22:36:15 GMT 2025 , Edited by admin on Mon Mar 31 22:36:15 GMT 2025
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72710698
Created by
admin on Mon Mar 31 22:36:15 GMT 2025 , Edited by admin on Mon Mar 31 22:36:15 GMT 2025
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05UIS99TWG
Created by
admin on Mon Mar 31 22:36:15 GMT 2025 , Edited by admin on Mon Mar 31 22:36:15 GMT 2025
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PRIMARY |
| Related Record | Type | Details | ||
|---|---|---|---|---|
|
ANHYDROUS->SOLVATE |
