Isoproterenone hydrochloride

HCID 2830496CAS 16899-81-3

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Grundinformationen

Standard-SMILES: CC(C)NCC(=O)c1ccc(O)c(O)c1.Cl
InChIKey: IUNGEEAXDFWWSQ-UHFFFAOYSA-N
Summenformel: C11H16ClNO3
Durchschnittliche Molmasse: 245,7 g/mol
Monoisotopische Masse: 245,0818711

Namen und Bezeichner

Bevorzugter Name: Isoproterenone hydrochloride
IUPAC: 1-(3,4-dihydroxyphenyl)-2-(propan-2-ylamino)ethanone;hydrochloride

Namen und Synonyme

16899-81-31-(3,4-dihydroxyphenyl)-2-[(1-methylethyl)amino] hydrochlorideNSC-23623X4JS3SRV5YIsoproterenone hydrochlorideEthanone, 1-(3,4-dihydroxyphenyl)-2-[(1-methylethyl)amino]-, hydrochloride (1:1)ACETOPHENONE, 3',4'-DIHYDROXY-2-(ISOPROPYLAMINO)-, HYDROCHLORIDEETHANONE, 1-(3,4-DIHYDROXYPHENYL)-2-((1-METHYLETHYL)AMINO)-, HYDROCHLORIDE (1:1)1-(3,4-Dihydroxyphenyl)-2-((1-methylethyl)amino) hydrochlorideRefChem:2013121-(3,4-DIHYDROXYPHENYL)-2-[(1-METHYLETHYL)AMINO]ETHANONE HYDROCHLORIDE1-(3,4-dihydroxyphenyl)-2-(isopropylamino)ethanone hydrochloride

Weitere Namen anzeigen

MFCD000350761-(3,4-Dihydroxyphenyl)-2-[(1-methylethyl)amino]-ethanone HydrochlorideIsoprenaline Hydrochloride EP Impurity AMLS-0315678.0001Isoprenaline impurity A CRSorb3181604CHEMBL1736975SCHEMBL11290306

Datenbank-Bezeichner

CAS: 16899-81-3
PubChem CID: 2830496
DTXSID: DTXSID501367420
ChEMBL: CHEMBL1736975
UNII: X4JS3SRV5Y
EC Number: 240-943-7

Eigenschaften

Berechnete Struktureigenschaften

Polarare Oberfläche (TPSA): 69,6 Å²
H-Brücken-Donoren: 4
H-Brücken-Akzeptoren: 4
Frei drehbare Bindungen: 4
Schwere Atome: 16
Formalladung: 0
Komplexität: 218

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 39 reports by companies from 1 notifications to the ECHA C&L Inventory.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.