7-(4-Bromobutoxy)-3,4-dihydroquinolin-2(1H)-one - CAS 129722-34-5
Catalog: |
BB007011 |
Product Name: |
7-(4-Bromobutoxy)-3,4-dihydroquinolin-2(1H)-one |
CAS: |
129722-34-5 |
Synonyms: |
7-(4-bromobutoxy)-3,4-dihydro-1H-quinolin-2-one; 7-(4-bromobutoxy)-3,4-dihydro-1H-quinolin-2-one |
IUPAC Name: | 7-(4-bromobutoxy)-3,4-dihydro-1H-quinolin-2-one |
Description: | An impurity in the synthesis of Aripiprazole (A771000). A degradation product in Aripiprazole tablets. Aripiprazole Bromobutoxyquinoline Impurity. |
Molecular Weight: | 298.18 |
Molecular Formula: | C13H16BrNO2 |
Canonical SMILES: | C1CC(=O)NC2=C1C=CC(=C2)OCCCCBr |
InChI: | InChI=1S/C13H16BrNO2/c14-7-1-2-8-17-11-5-3-10-4-6-13(16)15-12(10)9-11/h3,5,9H,1-2,4,6-8H2,(H,15,16) |
InChI Key: | URHLNHVYMNBPEO-UHFFFAOYSA-N |
Boiling Point: | 463.4 °C at 760 mmHg |
Density: | 1.383 g/cm3 |
Storage: | Sealed in dry, Room Temperature |
MDL: | MFCD06658540 |
LogP: | 3.26320 |
GHS Hazard Statement: | H315 (66.67%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P201, P202, P261, P264, P271, P273, P280, P281, P302+P352, P304+P340, P305+P351+P338, P308+P313, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
CN-113214150-A | Synthesis of high-purity aripiprazole and preparation method of hydrate particles thereof | 20210420 |
CN-111848579-A | Prodrugs of 4- (2, 6-dichlorobenzamido) -N- (4-piperidinyl) -1H-pyrazole-3-carboxamide | 20190426 |
US-2020339615-A1 | Prodrugs of a cdk inhibitor for treating cancers | 20190426 |
WO-2020215156-A1 | Prodrugs of a cdk inhibitor for treating cancers | 20190426 |
WO-2020210785-A1 | D3 receptor agonist compounds; methods of preparation; intermediates thereof; and methods of use thereof | 20190412 |
Complexity: | 260 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 297.03644 |
Formal Charge: | 0 |
Heavy Atom Count: | 17 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 297.03644 |
Rotatable Bond Count: | 5 |
Topological Polar Surface Area: | 38.3 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.5 |
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