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134720-04-0

134720-04-0 Structure

134720-04-0 Structure
IdentificationBack Directory
[Name]

Benzeneacetamide, 4-[2-hydroxy-3-[(1-methylethyl)nitrosoamino]propoxy]-
[CAS]

134720-04-0
[Synonyms]

Atenolol Impurity 15
Benzeneacetamide, 4-[2-hydroxy-3-[(1-methylethyl)nitrosoamino]propoxy]-
5Benzeneacetamide, 4-[2-hydroxy-3-[(1-methylethyl)nitrosoamino]propoxy]-
[Molecular Formula]

C14H21N3O4
[MOL File]

134720-04-0.mol
[Molecular Weight]

295.33
Chemical PropertiesBack Directory
[Boiling point ]

595.8±50.0 °C(Predicted)
[density ]

1.23±0.1 g/cm3(Predicted)
[storage temp. ]

-20°C
[solubility ]

Ethanol: soluble
[form ]

A solid
[pka]

13.21±0.20(Predicted)
[InChI]

InChI=1S/C14H21N3O4/c1-10(2)17(16-20)8-12(18)9-21-13-5-3-11(4-6-13)7-14(15)19/h3-6,10,12,18H,7-9H2,1-2H3,(H2,15,19)
[InChIKey]

BLORPAGHSJJNFB-UHFFFAOYSA-N
[SMILES]

C1(CC(N)=O)=CC=C(OCC(O)CN(C(C)C)N=O)C=C1
Safety DataBack Directory
[Symbol(GHS) ]

GHS hazard pictograms
GHS07
[Signal word ]

Warning
[Hazard statements ]

H302
[Precautionary statements ]

P264-P270-P301+P312-P330-P501
Hazard InformationBack Directory
[Uses]

N-Nitrosoatenolol is an N-nitroso derivative of Atenolol (A790075), which is a cardioselective β-adrenergic blocker. Antihypertensive, antianginal, antiarrhythmic (class II). N-Nitrosoatenolol can be used for its genotoxic effect in rat and human hepatocytes.
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