Dehydroaripiprazole

C23H25Cl2N3O2CAS 129722-25-4446.37 g/mol

Open in Covalent MOL file
NNOOHNClCl
Aryl halideEtherTertiary amine

Properties

Molecular formula
C23H25Cl2N3O2
Molar mass
446.37 g/mol
Exact mass
445.1324 Da
logP
4.82Crippen estimate
Polar surface area
48.6 Ų
H-bond donors / acceptors
1 / 4
Rotatable bonds
7

Hazards

Danger
Acute Toxic (GHS06)

Aggregated from 38 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P264, P270, P301+P316, P321, P330, P405, P501

Identifiers

CAS number
129722-25-4
SMILES
C1CN(CCN1CCCCOC2=CC3=C(C=C2)C=CC(=O)N3)C4=C(C(=CC=C4)Cl)Cl
InChIKey
CDONPRYEWWPREK-UHFFFAOYSA-N
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)

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Names and synonyms

1 names
  • Dehydro aripiprazole

Work with Dehydroaripiprazole

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

7-(4-Chlorobutoxy)-1H-quinolin-2-one913613-82-854 % similar Aripiprazole129722-12-953 % similar 7-(4-Bromobutoxy)-quinoline-2(1H)-one203395-59-953 % similar Aripiprazole lauroxil1259305-29-745 % similar Brexpiprazole913611-97-940 % similar 2,3-Dichlorophenylpiperazine41202-77-136 % similar 1-(2,3-Dichlorophenyl)piperazine hydrochloride119532-26-234 % similar Cariprazine839712-12-833 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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