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Zilpaterol-d7

CAT: 0931-TMIH-0611-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0931-TMIH-0611-01Size:1 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1217818-36-4
Target
Adrenergic Receptor
Related Pathways
Neuroscience, GPCR/G Protein
Bioactivity
Zilpaterol-d7 (trans- (±) -Zilpaterol-d7) is a 2H-labeled Zilpaterol. Zilpaterol is a β-adrenergic receptor agonist, reducing marbling score by increasing muscle cross-sectional area and diluting intramuscular fat in beef cattle.
Smiles
O[C@@H]1C2=C3N(C(=O)NC3=CC=C2)CC[C@H]1NC(C([2H])([2H])[2H])(C([2H])([2H])[2H])[2H]
Molecular Formula
C14H12D7N3O2
Molecular Weight
268.36
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Zilpaterol-d7
CAS Number1217818-36-4
PubChem CID131698902
IUPAC Name(9S,10S)-10-(1,1,1,2,3,3,3-heptadeuteriopropan-2-ylamino)-9-hydroxy-1,3-diazatricyclo[6.4.1.04,13]trideca-4,6,8(13)-trien-2-one
Molecular FormulaC14H19N3O2
Molecular Weight268.36
XLogP0.5
Topological Polar Surface Area64.6
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Heavy Atom Count19
Formal Charge0
Complexity361
SMILES
[2H]C([2H])([2H])C([2H])(C([2H])([2H])[2H])N[C@H]1CCN2C3=C([C@@H]1O)C=CC=C3NC2=O
InChI
InChI=1S/C14H19N3O2/c1-8(2)15-11-6-7-17-12-9(13(11)18)4-3-5-10(12)16-14(17)19/h3-5,8,11,13,15,18H,6-7H2,1-2H3,(H,16,19)/t11-,13-/m0/s1/i1D3,2D3,8D
InChIKey
ZSTCZWJCLIRCOJ-FNKPLXHESA-N
Chemical Structure
2D Structure
2D structure of Zilpaterol-d7
CAS: 1217818-36-4
CID: 131698902
Formula: C14H19N3O2
MW: 268.36
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight268.36
XLogP30.5
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Exact Mass268.191664079
Monoisotopic Mass268.191664079
Topological Polar Surface Area64.6 Ų
Heavy Atom Count19
Formal Charge0
Complexity361
Isotope Atom Count7
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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