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rac Metoprolol-d7

CAT: 0572-TRC-M338792-10MGSize: 10 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-M338792-10MGSize:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
959787-96-3
Hazard Statement
May cause an allergic skin reaction
Purity
>95% (HPLC)
Smiles
[2H]C([2H])([2H])C([2H])(NCC(O)COc1ccc(CCOC)cc1)C([2H])([2H])[2H]
Molecular Formula
C15 2H7 H18 N O3
Molecular Weight
274.41
InChI
InChI=1S/C15H25NO3/c1-12(2)16-10-14(17)11-19-15-6-4-13(5-7-15)8-9-18-3/h4-7,12,14,16-17H,8-11H2,1-3H3/i1D3,2D3,12D
Additionnal Information
IUPAC name: 1-(1,1,1,2,3,3,3-heptadeuteriopropan-2-ylamino)-3-[4-(2-methoxyethyl)phenoxy]propan-2-ol
Shipping Conditions
Room Temperature
Storage Conditions
-20°C

Chemical Information

1-(1,1,1,2,3,3,3-Heptadeuteriopropan-2-ylamino)-3-(4-(2-methoxyethyl)phenoxy)propan-2-ol
CAS Number959787-96-3
PubChem CID25145316
IUPAC Name1-(1,1,1,2,3,3,3-heptadeuteriopropan-2-ylamino)-3-[4-(2-methoxyethyl)phenoxy]propan-2-ol
Molecular FormulaC15H25NO3
Molecular Weight274.41
XLogP1.9
Topological Polar Surface Area50.7
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count9
Heavy Atom Count19
Formal Charge0
Complexity215
SMILES
[2H]C([2H])([2H])C([2H])(C([2H])([2H])[2H])NCC(COC1=CC=C(C=C1)CCOC)O
InChI
InChI=1S/C15H25NO3/c1-12(2)16-10-14(17)11-19-15-6-4-13(5-7-15)8-9-18-3/h4-7,12,14,16-17H,8-11H2,1-3H3/i1D3,2D3,12D
InChIKey
IUBSYMUCCVWXPE-QLWPOVNFSA-N
Chemical Structure
2D Structure
2D structure of 1-(1,1,1,2,3,3,3-Heptadeuteriopropan-2-ylamino)-3-(4-(2-methoxyethyl)phenoxy)propan-2-ol
CAS: 959787-96-3
CID: 25145316
Formula: C15H25NO3
MW: 274.41
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight274.41
XLogP31.9
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count9
Exact Mass274.22738088
Monoisotopic Mass274.22738088
Topological Polar Surface Area50.7 Ų
Heavy Atom Count19
Formal Charge0
Complexity215
Isotope Atom Count7
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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