CAS 54945-72-1 5-(2,3-Dihydroxypropoxy)-3,4-dihydro-2(1H)-quinolinone (HCID 12285387)

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Basic information

CAS: 54945-72-1
Standard SMILES: O=C1CCc2c(cccc2OCC(O)CO)N1
InChIKey: PNLHGHSRNLGLHP-UHFFFAOYSA-N
Molecular formula: C12H15NO4
Average molar mass: 237.25 g/mol

Names & identifiers

Preferred name: 5-(2,3-Dihydroxypropoxy)-3,4-dihydro-2(1H)-quinolinone
IUPAC: 5-(2,3-dihydroxypropoxy)-3,4-dihydro-1H-quinolin-2-one
English name: Carteolol HCl EP Impurity G
Molecular formula: C12H15NO4
Molecular weight: 237.25

Names & synonyms

54945-72-1BPM2AB99TK2(1H)-Quinolinone, 5-(2,3-dihydroxypropoxy)-3,4-dihydro-5-(2,3-Dihydroxypropoxy)-3,4-dihydrocarbostyrilCarteolol hydrochloride impurity G [EP]5-(2,3-Dihydroxypropoxy)-3,4-dihydro-2(1H)-quinolinone5-((2RS)-2,3-Dihydroxypropoxy)-3,4-dihydroquinolin-2(1H)-one5-[(2RS)-2,3-dihydroxypropoxy]-3,4-dihydroquinolin-2(1H)-oneCARTEOLOL HYDROCHLORIDE IMPURITY G [EP IMPURITY]CARTEOLOL HYDROCHLORIDE IMPURITY G (EP IMPURITY)RefChem:198837Carteolol hydrochloride impurity G

Show more names

Carteolol Impurity 7Carteolol Impurities7Carteolol Impurities1811Carteolol Impurities1804Carteolol Hydrochloride EP Impurity G5-(2,3-dihydroxypropoxy)-3,4-dihydro-2(1H)-quinolone5-(2,3-dihydroxypropoxy)-3,4-dihydroquinolin-2(1H)-one

Carteolol HCl EP Impurity GCarteolol EP Impurity GUNII-BPM2AB99TK5-(2,3-dihydroxypropoxy)-3,4-dihydro-1H-quinolin-2-one3,4-Dihydro-5-(2,3-dihydroxypropoxy)carbostyrilCarteolol EP Impurity G?SCHEMBL106562695-(2,3-dihyroxy)propoxy-3,4-dihydrocarbostyril

Properties

Computed structural properties

XLogP: -0.3
Topological polar surface area: 78.8 Å²
Hydrogen bond donors: 3
Hydrogen bond acceptors: 4
Rotatable bonds: 4
Heavy atoms: 17
Formal charge: 0
Complexity: 271

Physicochemical properties

Boiling point: 537.4 · 537.4±50.0 °C(Predicted)
Density: 1.309 · 1.309±0.06 g/cm3(Predicted)
pka: 13.46 · 13.46±0.20(Predicted)
InChI: InChI=1S/C12H15NO4/c14-6-8(15)7-17-11-3-1-2-10-9(11)4-5-12(16)13-10/h1-3,8,14-15H,4-7H2,(H,13,16)
InChIKey: PNLHGHSRNLGLHP-UHFFFAOYSA-N
SMILES: N1C2=C(C(OCC(O)CO)=CC=C2)CCC1=O
FDA UNII: 2 AB99TK · BPM2AB99TK

Chemistry & industry

Suppliers24 total

天津始加生物医药科技有限公司15022261580 · [email protected]

济南百隆化学有限公司[email protected] · [email protected]

怀化元研达生物技术有限责任公司18711085600 · [email protected]

广州隽沐生物科技股份有限公司020-36607679; 13502246435 · [email protected]

广州佳途科技股份有限公司81960175 18933936954 · [email protected]

Related reactions

1 records

New reaction record

HRID 462046As productuspto-grants-1977_12

Compound notes

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