Details
| Stereochemistry | RACEMIC |
| Molecular Formula | C21H31NO4.C6H3N3O7 |
| Molecular Weight | 590.5791 |
| Optical Activity | ( + / - ) |
| Defined Stereocenters | 0 / 1 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
OC1=C(C=C(C=C1[N+]([O-])=O)[N+]([O-])=O)[N+]([O-])=O.CCOC(=O)C2(CCN(CCOCC3CCCO3)CC2)C4=CC=CC=C4
InChI
InChIKey=YDSZNPQSJASIFZ-UHFFFAOYSA-N
InChI=1S/C21H31NO4.C6H3N3O7/c1-2-25-20(23)21(18-7-4-3-5-8-18)10-12-22(13-11-21)14-16-24-17-19-9-6-15-26-19;10-6-4(8(13)14)1-3(7(11)12)2-5(6)9(15)16/h3-5,7-8,19H,2,6,9-17H2,1H3;1-2,10H
| Molecular Formula | C21H31NO4 |
| Molecular Weight | 361.4751 |
| Charge | 0 |
| Count |
|
| Stereochemistry | RACEMIC |
| Additional Stereochemistry | No |
| Defined Stereocenters | 0 / 1 |
| E/Z Centers | 0 |
| Optical Activity | ( + / - ) |
| Molecular Formula | C6H3N3O7 |
| Molecular Weight | 229.1039 |
| 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 11:08:13 UTC 2023
by
admin
on
Sat Dec 16 11:08:13 UTC 2023
|
| Record UNII |
5MLE50YVZN
|
| Record Status |
Validated (UNII)
|
| Record Version |
|
-
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103163-66-2
Created by
admin on Sat Dec 16 11:08:13 UTC 2023 , Edited by admin on Sat Dec 16 11:08:13 UTC 2023
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126961360
Created by
admin on Sat Dec 16 11:08:13 UTC 2023 , Edited by admin on Sat Dec 16 11:08:13 UTC 2023
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PRIMARY | |||
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5MLE50YVZN
Created by
admin on Sat Dec 16 11:08:13 UTC 2023 , Edited by admin on Sat Dec 16 11:08:13 UTC 2023
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PRIMARY |
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|---|---|---|---|---|
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SALT/SOLVATE -> PARENT |
