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Structure
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|
| Relationships |
Total Number of functionally related protein(s) :
12
Total Number of Articles : 19
|
| PubChem |
10114519
|
| Molecular Formula |
C23H25Cl2N3O2 |
| SMILES |
C1CN(CCN1CCCCOC2=CC3=C(C=C2)C=CC(=O)N3)C4=C(C(=CC=C4)Cl)Cl |
| InChI |
InChI=1S/C23H25Cl2N3O2/c24-19-4-3-5-21(23(19)25)28-13-11-27(12-14-28)10-1-2-15-30-18-8-6-17-7-9-22(29)26-20(17)16-18/h3-9,16H,1-2,10-15H2,(H,26,29) |
| synonyms |
- Dehydroaripiprazole
- 129722-25-4
- Dehydro aripiprazole
- 7-(4-(4-(2,3-Dichlorophenyl)piperazin-1-yl)butoxy)quinolin-2(1H)-one
- Dehydro-aripiprazole
- 2S514OZH3B
- DM-14857
- OPC-14857
- 2(1H)-Quinolinone, 7-[4-[4-(2,3-dichlorophenyl)-1-piperazinyl]butoxy]-
- DTXSID70156225
- 7-(4-(4-(2,3-Dichlorophenyl)-1-piperazinyl)butoxy)-2(1H)-quinolinone
- 2(1H)-Quinolinone, 7-(4-(4-(2,3-dichlorophenyl)-1-piperazinyl)butoxy)-
- ARIPIPRAZOLE IMPURITY E [EP IMPURITY]
- 7-[4-[4-(2,3-DICHLOROPHENYL)-1-PIPERAZINYL]BUTOXY]-2(1H)-QUINOLINONE
- 7-[4-[4-(2,3-Dichlorophenyl)piperazin-1-yl]butoxy]quinolin-2(1H)-one
- ARIPIPRAZOLE IMPURITY E (EP IMPURITY)
- DTXCID8078716
- Aripiprazole EP Impurity E
- 7-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butoxy]-1H-quinolin-2-one
- UNII-2S514OZH3B
- CHEMBL161792
- C23H25Cl2N3O2
- MFCD00892073
- Aripiprazol-M dehydro
- SCHEMBL8423
- Dehydroaripiprazole (Standard)
- SCHEMBL12961259
- CDONPRYEWWPREK-UHFFFAOYSA-N
- BCP33865
- MSK10217
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| Properties |
| Property |
Value |
| MW |
446.4 g/mol |
| HBD |
1 |
| HBA |
4 |
| Rotatable Bond Count |
7 |
| Exact Mass |
445.1323824 g/mol |
| Monoisotopic Mass |
445.1323824 g/mol |
| Heavy Atom Count |
30 |
| Isotope Atom Count |
0 |
| Atom Stereo Count |
0 |
| Covalent Unit Count |
1 |
| Complexity |
597 |
| xlogp |
4.9 |
| Topological Polar Surface Area |
44.8 |
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