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L-Thyroxine-13C9,15N

CAT: 0931-T36383Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0931-T36383Size:1 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1431868-11-9
Bioactivity
L-Thyroxine-13C9,15N is intended for use as an internal standard for the quantification of L-thyroxine by GC- or LC-MS. L-Thyroxine is a synthetic form of the thyroid hormone thyroxine.
Smiles
O(C1=CC(I)=C(O)C(I)=C1)[13C]2=[13C](I)[13CH]=[13C]([13CH2][13C@@H]([13C](O)=O)[15NH2])[13CH]=[13C]2I
Molecular Formula
C15H11I4NO4
Molecular Weight
786.8
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Fluphenazine N4'-oxide
CAS Number1431868-11-9
PubChem CID71574389
IUPAC Name(2S)-2-(15N)azanyl-3-[4-(4-hydroxy-3,5-diiodophenoxy)-3,5-diiodo(1,2,3,4,5,6-13C6)cyclohexa-1,3,5-trien-1-yl](1,2,3-13C3)propanoic acid
Molecular FormulaC15H11I4NO4
Molecular Weight786.80
XLogP2.4
Topological Polar Surface Area92.8
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count5
Heavy Atom Count24
Formal Charge0
Complexity420
SMILES
C1=C(C=C(C(=C1I)O)I)O[13C]2=[13C]([13CH]=[13C]([13CH]=[13C]2I)[13CH2][13C@@H]([13C](=O)O)[15NH2])I
InChI
InChI=1S/C15H11I4NO4/c16-8-4-7(5-9(17)13(8)21)24-14-10(18)1-6(2-11(14)19)3-12(20)15(22)23/h1-2,4-5,12,21H,3,20H2,(H,22,23)/t12-/m0/s1/i1+1,2+1,3+1,6+1,10+1,11+1,12+1,14+1,15+1,20+1
InChIKey
XUIIKFGFIJCVMT-LPIUGHGLSA-N
Chemical Structure
2D Structure
2D structure of Fluphenazine N4'-oxide
CAS: 1431868-11-9
CID: 71574389
Formula: C15H11I4NO4
MW: 786.80
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight786.80
XLogP32.4
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count5
Exact Mass786.7139
Monoisotopic Mass786.7139
Topological Polar Surface Area92.8 Ų
Heavy Atom Count24
Formal Charge0
Complexity420
Isotope Atom Count10
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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Alternative Products

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HY-18341S3-01L-Thyroxine-13C6,15N
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