Details
| Stereochemistry | RACEMIC |
| Molecular Formula | C21H27N3O6.C2H2O4 |
| Molecular Weight | 507.4905 |
| Optical Activity | ( + / - ) |
| Defined Stereocenters | 0 / 1 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
OC(=O)C(O)=O.CNCC(C)(C)OC(=O)C1=C(C)NC(C)=C(C1C2=CC(=CC=C2)[N+]([O-])=O)C(=O)OC
InChI
InChIKey=QKYWSRHKEDKHPE-UHFFFAOYSA-N
InChI=1S/C21H27N3O6.C2H2O4/c1-12-16(19(25)29-6)18(14-8-7-9-15(10-14)24(27)28)17(13(2)23-12)20(26)30-21(3,4)11-22-5;3-1(4)2(5)6/h7-10,18,22-23H,11H2,1-6H3;(H,3,4)(H,5,6)
| Molecular Formula | C2H2O4 |
| Molecular Weight | 90.0349 |
| Charge | 0 |
| Count |
|
| Stereochemistry | ACHIRAL |
| Additional Stereochemistry | No |
| Defined Stereocenters | 0 / 0 |
| E/Z Centers | 0 |
| Optical Activity | NONE |
| Molecular Formula | C21H27N3O6 |
| Molecular Weight | 417.4556 |
| Charge | 0 |
| Count |
|
| Stereochemistry | RACEMIC |
| Additional Stereochemistry | No |
| Defined Stereocenters | 0 / 1 |
| E/Z Centers | 0 |
| Optical Activity | ( + / - ) |
Approval Year
| Substance Class |
Chemical
Created
by
admin
on
Edited
Wed Apr 02 17:11:10 GMT 2025
by
admin
on
Wed Apr 02 17:11:10 GMT 2025
|
| Record UNII |
C3Z4S5XA3P
|
| Record Status |
Validated (UNII)
|
| Record Version |
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-
Download
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Preferred Name | English |
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957214-95-8
Created by
admin on Wed Apr 02 17:11:10 GMT 2025 , Edited by admin on Wed Apr 02 17:11:10 GMT 2025
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C3Z4S5XA3P
Created by
admin on Wed Apr 02 17:11:10 GMT 2025 , Edited by admin on Wed Apr 02 17:11:10 GMT 2025
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77612573
Created by
admin on Wed Apr 02 17:11:10 GMT 2025 , Edited by admin on Wed Apr 02 17:11:10 GMT 2025
|
PRIMARY |
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|---|---|---|---|---|
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PARENT -> SALT/SOLVATE |
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