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N-Nitrosometoprolol

CAT: 0931-T208681-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0931-T208681-01Size:10 mg
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CAS Number
138768-62-4
Target
Adrenergic Receptor
Related Pathways
GPCR/G Protein, Neuroscience
Bioactivity
N-Nitrosometoprolol is an N-nitroso derivative formed through the in vitro reaction of a β-adrenergic blocker with sodium nitrite. It has the capability to induce micronuclei in the liver, bone marrow, and spleen of rats.
Smiles
O=NN(CC(O)COC1=CC=C(C=C1)CCOC)C(C)C
Molecular Formula
C15H24N2O4
Molecular Weight
296.36
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

1-[4-(2-Methoxyethyl)phenoxy]-3-[nitroso(propan-2-yl)amino]propan-2-ol
CAS Number138768-62-4
PubChem CID154449
IUPAC NameN-[2-hydroxy-3-[4-(2-methoxyethyl)phenoxy]propyl]-N-propan-2-ylnitrous amide
Molecular FormulaC15H24N2O4
Molecular Weight296.36
XLogP2.2
Topological Polar Surface Area71.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count9
Heavy Atom Count21
Formal Charge0
Complexity281
SMILES
CC(C)N(CC(COC1=CC=C(C=C1)CCOC)O)N=O
InChI
InChI=1S/C15H24N2O4/c1-12(2)17(16-19)10-14(18)11-21-15-6-4-13(5-7-15)8-9-20-3/h4-7,12,14,18H,8-11H2,1-3H3
InChIKey
CHTOBGHTYDROBB-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 1-[4-(2-Methoxyethyl)phenoxy]-3-[nitroso(propan-2-yl)amino]propan-2-ol
CAS: 138768-62-4
CID: 154449
Formula: C15H24N2O4
MW: 296.36
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight296.36
XLogP32.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count9
Exact Mass296.17360725
Monoisotopic Mass296.17360725
Topological Polar Surface Area71.4 Ų
Heavy Atom Count21
Formal Charge0
Complexity281
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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Alternative Products

CatalogName
TRC-N137290-5MGN-Nitrosometoprolol
OH153454-01N, N', N'', N''', N'''', N''''', N''''''-Heptaacetylchitoheptaose
FH171463-01N, N, N', N', N'', N''-Hexamethoxymethylmelamine
sc-222018BN, N', N'', N''', N'''', N'''''-Hexaacetylchitohexaose
OR9122-01N, N, N', N', N'', N''-Hexamethylmethanetriamine
TRC-H290750-10MGN,N’,N’’,N’’’,N’’’’,N’’’’’-Hexaacetylchitohexaose
OR22662N, N, N, N, N, N-hexaethylphosphinetricarboxamide
AR-O01213-01N, N’, N’’, N’’’, N’’’’, N’’’’’-Hexaacetylchitohexaose
TRC-P225000-100MGN,N’,N’’,N’’’,N’’’’-Pentaacetylchitopentaose
sc-255378N, N, N', N'', N''-Pentamethyldiethylenetriamine

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