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Nadolol Impurity 10-D9

CAT: 1299-RM-N010410-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:1299-RM-N010410-01Size:10 mg
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CAS Number
1432056-38-6
Synonyms
(2R,3S) -5- (2-hydroxy-3- ((2- (methyl-d3) propan-2-yl-1,1,1,3,3,3-d6) amino) propoxy) -1,2,3,4-tetrahydronaphthalene-2,3-diol
Molecular Formula
C17H18D9NO4
Molecular Weight
318.45
Target Alternative Name
Nadolol

Chemical Information

Nadolol-d9 (Mixture of Diastereomers)
CAS Number1432056-38-6
PubChem CID172653313
IUPAC Name(2S,3R)-5-[3-[[1,1,1,3,3,3-hexadeuterio-2-(trideuteriomethyl)propan-2-yl]amino]-2-hydroxypropoxy]-1,2,3,4-tetrahydronaphthalene-2,3-diol;(2R,3S)-5-[3-[[1,1,1,3,3,3-hexadeuterio-2-(trideuteriomethyl)propan-2-yl]amino]-2-hydroxypropoxy]-1,2,3,4-tetrahydronaphthalene-2,3-diol
Molecular FormulaC34H54N2O8
Molecular Weight636.9
Topological Polar Surface Area164
Hydrogen Bond Donor Count8
Hydrogen Bond Acceptor Count10
Rotatable Bond Count12
Heavy Atom Count44
Formal Charge0
Complexity344
SMILES
[2H]C([2H])([2H])C(C([2H])([2H])[2H])(C([2H])([2H])[2H])NCC(COC1=CC=CC2=C1C[C@@H]([C@@H](C2)O)O)O.[2H]C([2H])([2H])C(C([2H])([2H])[2H])(C([2H])([2H])[2H])NCC(COC1=CC=CC2=C1C[C@H]([C@H](C2)O)O)O
InChI
InChI=1S/2C17H27NO4/c2*1-17(2,3)18-9-12(19)10-22-16-6-4-5-11-7-14(20)15(21)8-13(11)16/h2*4-6,12,14-15,18-21H,7-10H2,1-3H3/t2*12?,14-,15+/m10/s1/i2*1D3,2D3,3D3
InChIKey
VSYDYSLMTCZQRB-KJDIWFETSA-N
Chemical Structure
2D Structure
2D structure of Nadolol-d9 (Mixture of Diastereomers)
CAS: 1432056-38-6
CID: 172653313
Formula: C34H54N2O8
MW: 636.9
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight636.9
Hydrogen Bond Donor Count8
Hydrogen Bond Acceptor Count10
Rotatable Bond Count12
Exact Mass636.50099811
Monoisotopic Mass636.50099811
Topological Polar Surface Area164 Ų
Heavy Atom Count44
Formal Charge0
Complexity344
Isotope Atom Count18
Defined Atom Stereocenter Count4
Undefined Atom Stereocenter Count2
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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