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DL-Thyroxine 98%

CAT: 0286-T12945-01Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0286-T12945-01Size:100 mg
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CAS Number
300-30-1
Synonyms
2-Amino-3-[4- (4-hydroxy-3,5-diiodophenoxy) -3,5-diiodophenyl]propionic acid; 3,3',5,5'-Tetraiodo-DL-thyronine; DL-3,5-Diiodo-4- (3',5'-diiodo-4'-hydrophenoxy) -phenylalanine; DL-3-[4- (4-hydroxy-3,5-diiodophenoxy) -3,5-diiodophenyl]alanine; DL-3,3',5,5'-Tetraiodothyronine
Pictogram
07 - Irritant
UDF Signal Word
Warning
MDL Number
MFCD00063058
Hazard Statement
H302 Harmful if swallowed; H312 Harmful in contact with skin; H315 Causes skin irritation; H319 Causes serious eye irritation; H332 Harmful if inhaled; H335 May cause respiratory irritation.
DOT Name
Not D.O.T.-Regulated
Precautions
P261 Avoid breathing dust/fume/gas/mist/vapors/spray; P280 Wear protective gloves/protective clothing/eye protection/face protection; P301+P312 IF SWALLOWED: call a POISON CENTER or doctor/physician IF you feel unwell; P302+P352 IF ON SKIN: wash with plenty of soap and water; P304+P340 IF INHALED: Remove victim to fresh air and Keep at rest in a position comfortable for breathing; P305+P351+P338 IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing; P332+P313 IF SKIN irritation occurs: Get medical advice/attention.

Chemical Information

(+-)-Thyroxine

Thyroxine is an iodothyronine compound having iodo substituents at the 3-, 3'-, 5- and 5'-positions. It has a role as a mitogen. It is an iodophenol, an iodothyronine, a 2-halophenol, a tyrosine derivative and a non-proteinogenic alpha-amino acid. It is a tautomer of a thyroxine zwitterion.

CAS Number300-30-1
PubChem CID853
IUPAC Name2-amino-3-[4-(4-hydroxy-3,5-diiodophenoxy)-3,5-diiodophenyl]propanoic acid
Molecular FormulaC15H11I4NO4
Molecular Weight776.87
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)OC2=CC(=C(C(=C2)I)O)I)I)CC(C(=O)O)N
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)
InChIKey
XUIIKFGFIJCVMT-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of (+-)-Thyroxine
CAS: 300-30-1
CID: 853
Formula: C15H11I4NO4
MW: 776.87
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight776.87
XLogP32.4
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count5
Exact Mass776.6867
Monoisotopic Mass776.6867
Topological Polar Surface Area92.8 Ų
Heavy Atom Count24
Formal Charge0
Complexity420
Isotope Atom Count0
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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