|
Structure
|
|
| Relationships |
Total Number of functionally related protein(s) :
62
Total Number of Articles : 121
|
| PubChem |
25021165
|
| Molecular Formula |
C27H24N2O9 |
| SMILES |
C1CN(CCC1C(C2=CC3=C(C=C2)OCO3)(C4=CC5=C(C=C4)OCO5)O)C(=O)OC6=CC=C(C=C6)[N+](=O)[O-] |
| InChI |
InChI=1S/C27H24N2O9/c30-26(38-21-5-3-20(4-6-21)29(32)33)28-11-9-17(10-12-28)27(31,18-1-7-22-24(13-18)36-15-34-22)19-2-8-23-25(14-19)37-16-35-23/h1-8,13-14,17,31H,9-12,15-16H2 |
| synonyms |
- 1101854-58-3
- JZL184
- JZL 184
- JZL-184
- 4-nitrophenyl 4-[bis(2H-1,3-benzodioxol-5-yl)(hydroxy)methyl]piperidine-1-carboxylate
- 7MZ1I2J68A
- CHEMBL576786
- 4-Nitrophenyl 4-(dibenzo[d][1,3]dioxol-5-yl(hydroxy)methyl)piperidine-1-carboxylate
- 1-Piperidinecarboxylic acid, 4-(bis(1,3-benzodioxol-5-yl)hydroxymethyl)-, 4-nitrophenyl ester
- 4-nitrophenyl 4-(bis(benzo[d][1,3]dioxol-5-yl)(hydroxy)methyl)piperidine-1-carboxylate
- JZL184 (with 15% inorganics)
- BDBM50300355
- 4-nitrophenyl 4-(bis(benzo[d][1,3]dioxol-5-yl)(hydroxy)methyl)piperidine-1-carboxylate.
- UNII-7MZ1I2J68A
- JZL 184 hydrate
- 4-Nitrophenyl Ester 4-?[Bis(1,?3-?benzodioxol-?5-?yl)?hydroxymethyl]?-1-piperidinecarboxylic Acid;
- GTPL5207
- SCHEMBL15094611
- BDBM60622
- CHEBI:95015
- DTXSID10648437
- JZL184?
- HMS3648E14
- HMS3652L12
- HMS3748C11
- HMS3869G03
- HMS3886O05
- JZL184; JZL 184
- BCP28334
- BUB85458
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|
| Properties |
| Property |
Value |
| MW |
520.5 g/mol |
| HBD |
1 |
| HBA |
9 |
| Rotatable Bond Count |
5 |
| Exact Mass |
520.14818035 g/mol |
| Monoisotopic Mass |
520.14818035 g/mol |
| Heavy Atom Count |
38 |
| Isotope Atom Count |
0 |
| Atom Stereo Count |
0 |
| Covalent Unit Count |
1 |
| Complexity |
820 |
| xlogp |
4.2 |
| Topological Polar Surface Area |
133 |
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