N-Nitroso Atenolol

CAT: 0931-T203130-01Size: 10 mgDry Ice: NoHazardous: No

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CAT#:0931-T203130-01Size:10 mg

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CAS Number

134720-04-0

Target

Adrenergic Receptor

Related Pathways

Neuroscience, GPCR/G Protein

Bioactivity

N-Nitroso Atenolol is a derivative of Atenolol. At concentrations ranging from 0.1 to 1 mM, it induces DNA fragmentation in rat hepatocytes.

Smiles

O=NN(CC(O)COC1=CC=C(C=C1)CC(=O)N)C(C)C

Molecular Formula

C14H21N3O4

Molecular Weight

295.33

Shipping Conditions

Ice Packs

Storage Temperature

-20°C

Chemical Information

N-nitroso-atenolol

CAS Number	134720-04-0
PubChem CID	154448
IUPAC Name	2-[4-[2-hydroxy-3-[nitroso(propan-2-yl)amino]propoxy]phenyl]acetamide
Molecular Formula	C14H21N3O4
Molecular Weight	295.33
XLogP	0.9
Topological Polar Surface Area	105
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	8
Heavy Atom Count	21
Formal Charge	0
Complexity	330

SMILES

CC(C)N(CC(COC1=CC=C(C=C1)CC(=O)N)O)N=O

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

Chemical Structure

2D Structure

CAS: 134720-04-0

CID: 154448

Formula: C14H21N3O4

MW: 295.33

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	295.33
XLogP3	0.9
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	8
Exact Mass	295.15320616
Monoisotopic Mass	295.15320616
Topological Polar Surface Area	105 Å²
Heavy Atom Count	21
Formal Charge	0
Complexity	330
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

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T0007L-01	(R) - (+) -Atenolol
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Alternative Products

Catalog	Name
CS-O-38043	N-Nitroso-Atenolol
GTR19241514-01	N-Nitroso Atenolol
TRC-N790077-10MG	N-Nitroso Atenolol-D7
AR-E09034-01	N-Nitroso Atenolol EP Impurity G
CS-O-55565	N-Nitroso-Atenolol (1mg/ml in methanol)
CS-O-45889	N-Nitroso-Atenolol EP Impurity H
CS-O-45888	N-Nitroso-Atenolol EP Impurity G
CS-O-38043-1.5ML	N-nitroso-atenolol-100 PPM in Acetonitrile
CS-O-50293	N-Nitroso Atenolol EP Impurity I (Mixture of Isomers)
C10460-1g	Atenolol

N-Nitroso Atenolol

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