Details
| Stereochemistry | ABSOLUTE |
| Molecular Formula | C21H21N3O9 |
| Molecular Weight | 459.4061 |
| Optical Activity | UNSPECIFIED |
| Defined Stereocenters | 4 / 4 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
CN(C)[C@H]1[C@@H]2C[C@@H]3CC4=C(C=CC(O)=C4C(=O)C3=C(O)[C@]2(O)C(=O)C(C(N)=O)=C1O)[N+]([O-])=O
InChI
InChIKey=PHMPSHIUYYLXKR-UVPAEMEASA-N
InChI=1S/C21H21N3O9/c1-23(2)15-9-6-7-5-8-10(24(32)33)3-4-11(25)13(8)16(26)12(7)18(28)21(9,31)19(29)14(17(15)27)20(22)30/h3-4,7,9,15,25,27-28,31H,5-6H2,1-2H3,(H2,22,30)/t7-,9-,15-,21-/m0/s1
| Molecular Formula | C21H21N3O9 |
| Molecular Weight | 459.4061 |
| Charge | 0 |
| Count |
|
| Stereochemistry | ABSOLUTE |
| Additional Stereochemistry | No |
| Defined Stereocenters | 4 / 4 |
| E/Z Centers | 0 |
| Optical Activity | UNSPECIFIED |
| Substance Class |
Chemical
Created
by
admin
on
Edited
Mon Mar 31 18:30:48 GMT 2025
by
admin
on
Mon Mar 31 18:30:48 GMT 2025
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| Record UNII |
2JH9LR1Y6S
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| Record Status |
Validated (UNII)
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| Record Version |
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-
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Preferred Name | English | ||
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Official Name | English | ||
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Common Name | English | ||
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Common Name | English | ||
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Common Name | English |
| Classification Tree | Code System | Code | ||
|---|---|---|---|---|
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NCI_THESAURUS |
C1595
Created by
admin on Mon Mar 31 18:30:48 GMT 2025 , Edited by admin on Mon Mar 31 18:30:48 GMT 2025
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| Code System | Code | Type | Description | ||
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SUB09323MIG
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C76992
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1725
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100000084121
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DTXSID601023982
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5585-59-1
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CHEMBL2107132
Created by
admin on Mon Mar 31 18:30:48 GMT 2025 , Edited by admin on Mon Mar 31 18:30:48 GMT 2025
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2JH9LR1Y6S
Created by
admin on Mon Mar 31 18:30:48 GMT 2025 , Edited by admin on Mon Mar 31 18:30:48 GMT 2025
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PRIMARY |
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