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Structure
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| Relationships |
Total Number of functionally related protein(s) :
7
Total Number of Articles : 30
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| PubChem |
2120
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| Molecular Formula |
C14H9NO4 |
| SMILES |
C1=CC2=C3C(=C1)C(=O)N(C(=O)C3=CC=C2)CC(=O)O |
| InChI |
InChI=1S/C14H9NO4/c16-11(17)7-15-13(18)9-5-1-3-8-4-2-6-10(12(8)9)14(15)19/h1-6H,7H2,(H,16,17) |
| synonyms |
- alrestatin
- 51411-04-2
- Alrestatin [INN]
- 2-(1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)acetic acid
- Alrestatin free acid
- (1,3-Dioxo-1H,3H-benzo[de]isoquinolin-2-yl)-acetic acid
- 2-(1,3-dioxobenzo[de]isoquinolin-2-yl)acetic acid
- 1,3-Dioxo-1H-benz(de)isoquinoline-2(3H)-acetic acid
- Spectrum_001449
- Tocris-0485
- Alrestatine
- NSC-299132
- AY-22284
- CHEMBL63055
- 515DHK15LG
- (1,3-Dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)acetic acid
- DTXSID7045655
- 51411-04-2 (free acid)
- 1,3-Dioxo-1H-benz(de)isoquinoline-2(3H)-acetate
- AY 22284
- NSC299132
- NCGC00024613-01
- 1,3-dioxo-1H-benz[de]isoquinoline-2(3H)-acetic acid
- DTXCID5025655
- Alrestatino
- Alrestatinum
- Alrestatine [INN-French]
- Alrestatinum [INN-Latin]
- Alrestatino [INN-Spanish]
- CAS-51411-04-2
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| Properties |
| Property |
Value |
| MW |
255.22 g/mol |
| HBD |
1 |
| HBA |
4 |
| Rotatable Bond Count |
2 |
| Exact Mass |
255.05315777 g/mol |
| Monoisotopic Mass |
255.05315777 g/mol |
| Heavy Atom Count |
19 |
| Isotope Atom Count |
0 |
| Atom Stereo Count |
0 |
| Covalent Unit Count |
1 |
| Complexity |
403 |
| xlogp |
1.7 |
| Topological Polar Surface Area |
74.7 |
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