Basic information
- CAS
1259312-25-8- Standard SMILES
O=C1CCc2ccc(OCCCCN3CCN(c4cccc(Cl)c4Cl)CC3)cc2N1CO- InChIKey
RDYWTOWUSVAZGN-UHFFFAOYSA-N- Molecular formula
- C24H29Cl2N3O3
- Average molar mass
- 478.4 g/mol
Names & identifiers
- Preferred name
- N-Hydroxymethyl aripiprazole
- IUPAC
- 7-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butoxy]-1-(hydroxymethyl)-3,4-dihydroquinolin-2-one
- English name
- Aripiprazole Lauroxil Intermediate
- Molecular formula
- C24H29Cl2N3O3
- Molecular weight
- 478.41
Names & synonyms
1259312-25-8RDC-5792N-Hydroxymethyl aripiprazoleW9C3Q6D4HE2(1H)-Quinolinone, 7-(4-(4-(2,3-dichlorophenyl)-1-piperazinyl)butoxy)-3,4-dihydro-1-(hydroxymethyl)-RefChem:10918427-(4-(4-(2,3-dichlorophenyl)piperazin-1-yl)butoxy)-1-(hydroxymethyl)-3,4-dihydroquinolin-2(1H)-oneUNII-W9C3Q6D4HESCHEMBL1041354SCHEMBL29429171SCHEMBL29669661N-HYDROXYMETHYLARIPIPRAZOLE
Show more names
Aripiprazole Lauroxil Intermediate2(1H)-Quinolinone, 7-[4-[4-(2,3-dichlorophenyl)-1-piperazinyl]butoxy]-3,4-dihydro-1-(hydroxymethyl)-
RDYWTOWUSVAZGN-UHFFFAOYSA-NARIPIPRAZOLE, N-HYDROXYMETHYLQ27292497
Database identifiers
- CAS
1259312-25-8- PubChem CID
- 58096483
- UNII
- W9C3Q6D4HE
Properties
Computed structural properties
- XLogP
- 4.8
- Topological polar surface area
- 56.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 8
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 605
Physicochemical properties
- Boiling point
- 714.5 · 714.5±60.0 °C(Predicted)
- Density
- 1.297 · 1.297±0.06 g/cm3(Predicted)
- pka
- 13.37 · 13.37±0.10(Predicted)
- FDA UNII
- 9 C3Q6D4HE · W9C3Q6D4HE
Chemistry & industry
Suppliers5 total
陕西缔都新材料有限公司029-63373950 17392216152 · [email protected]
福建海西新药创制有限公司0591-87519936-3020 18060579623 · [email protected]
上海德轩医药科技有限公司[email protected] · [email protected]
武汉市恒沃科技有限公司15372409258 0571-87069506 · [email protected]
江苏艾康生物医药研发有限公司025-58859352 19370895928 · [email protected]
Related reactions
9 records
Compound notes
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