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Search term: 51-48-9 (Found by approved synonym)

ChemSpider 2D Image | Levothyroxine | C15H11I4NO4

Levothyroxine

  • Molecular FormulaC15H11I4NO4
  • Average mass776.870 Da
  • Monoisotopic mass776.686646 Da
  • ChemSpider ID5614
  • defined stereocentres - 1 of 1 defined stereocentres


More details:



Featured data source



Validated by Experts, Validated by Users, Non-Validated, Removed by Users

Levothyroxine [Wiki]
(-)-3-[4-(4-Hydroxy-3,5-diiodophenoxy)-3,5-diiodophenyl]alanine
(-)-Thyroxine
(2S)-2-Amino-3-[4-(4-hydroxy-3,5-diiodophenoxy)-3,5-diiodophenyl]propanoic acid
200-101-1 [EINECS]
3,5,3',5'-Tetraiodothyronine
4-14-00-02373 (Beilstein Handbook Reference) [Beilstein]
51-48-9 [RN]
b-((3,5-Diiodo-4-hydroxyphenoxy)-3,5-diiodophenyl)alanine
L-3,5,3',5'-Tetraiodothyronine
More...

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

AIDS003357 [DBID]
AIDS-003357 [DBID]
BRN 2228515 [DBID]
C01829 [DBID]
CCRIS 6739 [DBID]
CHEBI:18332 [DBID]
DivK1c_006967 [DBID]
HSDB 3108 [DBID]
KBio1_001911 [DBID]
KBio2_001556 [DBID]
More...
  • Experimental Physico-chemical Properties
  • Predicted Physico-chemical Properties
  • Miscellaneous
    • Chemical Class:

      amino acid Microsource [01500774]
      The <stereo>L</stereo>-enantiomer of thyroxine. ChEBI CHEBI:18332, CHEBI:58448
      Zwitterionic form of <stereo>L</stereo>-thyroxine. ChEBI CHEBI:18332, CHEBI:58448
    • Drug Status:

      USP, INN, BAN, JAN Microsource [01500774]
    • Compound Source:

      thyroid gland Microsource [01500774]
    • Bio Activity:

      L-Thyroxine(Levothyroxine) is an iodine containing hormone produced from thyroglobulin in the thyroid follicular cells; reduces total cholesterol level, low-density lipoprotein cholesterol as well as waist to hip ratio in subclinical hypothyroidism pateints. MedChem Express
      L-Thyroxine(Levothyroxine) is an iodine containing hormone produced from thyroglobulin in the thyroid follicular cells; reduces total cholesterol level, low-density lipoprotein cholesterol as well as waist to hip ratio in subclinical hypothyroidism pateints.; IC50 Value:; Target: ; L-Thyroxine was used to study the light-induced hormone conversion of T4 to T3 in regulation of photoperiodic response of gonads in Japanese quail. MedChem Express HY-18341
      L-Thyroxine(Levothyroxine) is an iodine containing hormone produced from thyroglobulin in the thyroid follicular cells; reduces total cholesterol level, low-density lipoprotein cholesterol as well as waist to hip ratio in subclinical hypothyroidism pateints.;IC50 Value:;Target: L-Thyroxine was used to study the light-induced hormone conversion of T4 to T3 in regulation of photoperiodic response of gonads in Japanese quail. The product was used as a test compound for studying the impact of numerous hormones on the surface morphology of rat testicular cells in culture. MedChem Express HY-18341
      Others MedChem Express HY-18341

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 2.6±0.1 g/cm3
Boiling Point: 576.3±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 90.8±3.0 kJ/mol
Flash Point: 302.3±30.1 °C
Index of Refraction: 1.795
Molar Refractivity: 125.4±0.3 cm3
#H bond acceptors: 5
#H bond donors: 4
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 2
ACD/LogP: 5.93
ACD/LogD (pH 5.5): 2.29
ACD/BCF (pH 5.5): 8.02
ACD/KOC (pH 5.5): 29.83
ACD/LogD (pH 7.4): 1.76
ACD/BCF (pH 7.4): 2.38
ACD/KOC (pH 7.4): 8.84
Polar Surface Area: 93 Å2
Polarizability: 49.7±0.5 10-24cm3
Surface Tension: 79.6±3.0 dyne/cm
Molar Volume: 294.7±3.0 cm3

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