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Thyroxine Ethyl Ester

CAT: 1596-AR-T01958-03Size: 50 UnitsDry Ice: NoHazardous: No
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CAT#:1596-AR-T01958-03Size:50 Units
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CAS Number
76353-71-4
Synonyms
(S) -ethyl 2-amino-3- (4- (4-hydroxy-3,5-diiodophenoxy) -3,5-diiodophenyl) propanoate; O- (4-Hydroxy-3,5-diiodophenyl) -3,5-diiodo-L-tyrosine Ethyl Ester; L-Thyroxine Ethyl Ester
Molecular Formula
C17H15I4NO4
Molecular Weight
804.93
API Name
Thyroxine

Chemical Information

Thyroxine Ethyl Ester
CAS Number76353-71-4
PubChem CID54050781
IUPAC Nameethyl (2S)-2-amino-3-[4-(4-hydroxy-3,5-diiodophenoxy)-3,5-diiodophenyl]propanoate
Molecular FormulaC17H15I4NO4
Molecular Weight804.92
XLogP5.3
Topological Polar Surface Area81.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count7
Heavy Atom Count26
Formal Charge0
Complexity448
SMILES
CCOC(=O)[C@H](CC1=CC(=C(C(=C1)I)OC2=CC(=C(C(=C2)I)O)I)I)N
InChI
InChI=1S/C17H15I4NO4/c1-2-25-17(24)14(22)5-8-3-12(20)16(13(21)4-8)26-9-6-10(18)15(23)11(19)7-9/h3-4,6-7,14,23H,2,5,22H2,1H3/t14-/m0/s1
InChIKey
LSSGNEFHGVQOPA-AWEZNQCLSA-N
Chemical Structure
2D Structure
2D structure of Thyroxine Ethyl Ester
CAS: 76353-71-4
CID: 54050781
Formula: C17H15I4NO4
MW: 804.92
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight804.92
XLogP35.3
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count7
Exact Mass804.7180
Monoisotopic Mass804.7180
Topological Polar Surface Area81.8 Ų
Heavy Atom Count26
Formal Charge0
Complexity448
Isotope Atom Count0
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

CatalogName
290163-01Thyroxine ethyl ester
MBS6046675-01N-Acetyl L-Thyroxine Ethyl Ester
E8755Etiroxate (O- (4-Hydroxy-3,5-diiodo-phenyl) -3,5-diiodo-a-methyl-DL-tyrosine Ethyl Ester, DL-a-Methyl-thyroxine Ethyl Ester, CG-635)
MBS6058030-01Etiroxate (O-(4-Hydroxy-3,5-diiodo-phenyl)-3,5-diiodo-a-methyl-DL-tyrosine Ethyl Ester, DL-a-Methyl-thyroxine Ethyl Ester, CG-635)
HY-131499-01Thyroxine methyl ester
467603-01Thyroxine Methyl Ester- 13C6
T81983-01Ketoprofen L-thyroxine ester
165173N- (Trifluoroacetyl) -L-thyroxine Methyl Ester
TRC-M137960-100MGm-Maleimidobenzoyl-L-thyroxine Methyl Ester
RM-L152002-01Loteprednol Etabonate Ethyl Ester (Prednisolone 20-Ethyl Ester)

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