L-thyroxine

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Names

[ CAS No. ]:
51-48-9

[ Name ]:
L-thyroxine

[Synonym ]:
Thyroxine (VAN)
b-((3,5-Diiodo-4-hydroxyphenoxy)-3,5-diiodophenyl)alanine
Thyroxine, L- (8CI)
EINECS 200-101-1
(-)-3-[4-(4-Hydroxy-3,5-diiodophenoxy)-3,5-diiodophenyl]alanine
3,3’,5,5‘’-Tetraiodo-L-thyronine
O-(4-Hydroxy-3,5-diiodophenyl)-3,5-diiodo-L-tyrosine
3-[4-(4-Hydroxy-3,5-diiodophenoxy)-3,5-diiodophenyl]-L-alanine
Thyroxine
L-3,5,3',5'-Tetraiodothyronine
thyroxine-binding globulin
(-)-Thyroxine
Thryroxine, l-
thyroxin
T4
L-Thyroxine
Tetraiodothyronine
THX
L-Tyrosine, O-(4-hydroxy-3,5-diiodophenyl)-3,5-diiodo-
transthyretin
L-Thyroxin
Thyroxine, L-
Thyrax
l-t4
Levothyroxine
3,5,3',5'-Tetraiodothyronine
O-(4-Hydroxy-3,5-diidophenyl)-3,5-diiodo-L-tyrosine
4-14-00-02373 (Beilstein Handbook Reference)
thyroxinal
L-thyroxine zwitterion
(2S)-2-Amino-3-[4-(4-hydroxy-3,5-diiodophenoxy)-3,5-diiodophenyl]propanoic acid
Henning
MFCD00002596

Chemical & Physical Properties

[ Density]:
2.6±0.1 g/cm3

[ Boiling Point ]:
576.3±50.0 °C at 760 mmHg

[ Melting Point ]:
235 °C

[ Molecular Formula ]:
C15H11I4NO4

[ Molecular Weight ]:
776.870

[ Flash Point ]:
302.3±30.1 °C

[ Exact Mass ]:
776.686646

[ PSA ]:
92.78000

[ LogP ]:
5.93

[ Vapour Pressure ]:
0.0±1.7 mmHg at 25°C

[ Index of Refraction ]:
1.795

[ Storage condition ]:
2~8°C

[ Water Solubility ]:
insoluble

MSDS

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
YP2833500
CHEMICAL NAME :
L-Tyrosine, O-(4-hydroxy-3,5-diiodophenyl)-3,5-diiodo-
CAS REGISTRY NUMBER :
51-48-9
BEILSTEIN REFERENCE NO. :
2228515
LAST UPDATED :
199709
DATA ITEMS CITED :
15
MOLECULAR FORMULA :
C15-H11-I4-N-O4
MOLECULAR WEIGHT :
776.87
WISWESSER LINE NOTATION :
QVYZ1R CI EI DOR DQ CI EI

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Human - man
DOSE/DURATION :
63 ug/kg
TOXIC EFFECTS :
Behavioral - hallucinations, distorted perceptions Cardiac - pulse rate increase, without fall in BP
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Human - woman
DOSE/DURATION :
400 ug/kg/2D-I
TOXIC EFFECTS :
Behavioral - coma Cardiac - arrhythmias (including changes in conduction)
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Subcutaneous
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
2 mg/kg/10D-I
TOXIC EFFECTS :
Liver - other changes Biochemical - Enzyme inhibition, induction, or change in blood or tissue levels - monoamine oxidase Biochemical - Metabolism (Intermediary) - effect on mitochondrial function
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Oral
DOSE :
26250 ug/kg
SEX/DURATION :
female 1-21 day(s) after conception
TOXIC EFFECTS :
Reproductive - Specific Developmental Abnormalities - eye/ear
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Oral
DOSE :
1400 ug/kg
SEX/DURATION :
female 16-22 day(s) after conception
TOXIC EFFECTS :
Reproductive - Effects on Newborn - biochemical and metabolic
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Oral
DOSE :
410 mg/kg
SEX/DURATION :
female 3 week(s) pre-mating female 1-20 day(s) after conception
TOXIC EFFECTS :
Reproductive - Effects on Embryo or Fetus - cytological changes (including somatic cell genetic material)
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Subcutaneous
DOSE :
450 ug/kg
SEX/DURATION :
female 7-15 day(s) after conception
TOXIC EFFECTS :
Reproductive - Fertility - post-implantation mortality (e.g. dead and/or resorbed implants per total number of implants)
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Subcutaneous
DOSE :
8160 ug/kg
SEX/DURATION :
female 7 day(s) pre-mating - 5 day(s) post-birth
TOXIC EFFECTS :
Reproductive - Maternal Effects - postpartum
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Subcutaneous
DOSE :
600 ug/kg
SEX/DURATION :
female 19-21 day(s) after conception
TOXIC EFFECTS :
Reproductive - Specific Developmental Abnormalities - urogenital system
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Unreported
DOSE :
12 mg/kg
SEX/DURATION :
male 6 day(s) pre-mating
TOXIC EFFECTS :
Reproductive - Fertility - mating performance (e.g. # sperm positive females per # females mated; # copulations per # estrus cycles)
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Subcutaneous
DOSE :
12 mg/kg
SEX/DURATION :
female 9-11 day(s) after conception
TOXIC EFFECTS :
Reproductive - Fertility - post-implantation mortality (e.g. dead and/or resorbed implants per total number of implants) Reproductive - Specific Developmental Abnormalities - musculoskeletal system

MUTATION DATA

TEST SYSTEM :
Rodent - rat
DOSE/DURATION :
6250 ug/kg/2D (Continuous)
REFERENCE :
BEXBAN Bulletin of Experimental Biology and Medicine (English Translation). Translation of BEBMAE. (Plenum Pub. Corp., 233 Spring St., New York, NY 10013) V.41- 1956- Volume(issue)/page/year: 72,942,1971 *** NIOSH STANDARDS DEVELOPMENT AND SURVEILLANCE DATA *** NIOSH OCCUPATIONAL EXPOSURE SURVEY DATA : NOHS - National Occupational Hazard Survey (1974) NOHS Hazard Code - M0234 No. of Facilities: 68 (estimated) No. of Industries: 1 No. of Occupations: 6 No. of Employees: 2770 (estimated) NOES - National Occupational Exposure Survey (1983) NOES Hazard Code - M0234 No. of Facilities: 717 (estimated) No. of Industries: 4 No. of Occupations: 9 No. of Employees: 10666 (estimated) No. of Female Employees: 7298 (estimated)

Safety Information

[ Symbol ]:

GHS02, GHS06, GHS08

[ Signal Word ]:
Danger

[ Hazard Statements ]:
H225-H301 + H311 + H331-H370

[ Precautionary Statements ]:
P210-P260-P280-P301 + P310 + P330-P302 + P352 + P312-P370 + P378

[ Personal Protective Equipment ]:
Eyeshields;Gloves;type N95 (US);type P1 (EN143) respirator filter

[ Hazard Codes ]:
Xn:Harmful

[ Risk Phrases ]:
R20/21/22

[ Safety Phrases ]:
S22-S24/25

[ RIDADR ]:
2811.0

[ WGK Germany ]:
3

[ RTECS ]:
YP2833500

[ Hazard Class ]:
6.1

[ HS Code ]:
2942000000

Synthetic Route

Precursor & DownStream

Precursor

  • 3,5-Diiodo-L-thyronine
  • DL-Thyroxine
  • N-Acetyl-3,5-diiod-L-tyrosin
  • L-Tyrosine
  • H-Tyr-OMe
  • Boc-L-Tyrosine methyl ester
  • BOC-3,5-DIIODO-TYR-OME

DownStream

  • N-Acetyl L-Thyroxine
  • 3,3',5'-triiodothyronine
  • Naphtho[1,8-cd]-1,2-thiaselenole
  • 1,8-Epidithionaphthalene
  • thyronine
  • L-Thyroxine sodium

Customs

[ HS Code ]: 2922509090

[ Summary ]:
2922509090. other amino-alcohol-phenols, amino-acid-phenols and other amino-compounds with oxygen function. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:30.0%

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Related Compounds

  • L-Thyroxine-13c6
  • Fmoc-L-thyroxine
  • L-Thyroxine sodium
  • L-Thyroxine sodium
  • L-thyroxine sodium
  • L-Thyroxine-13C9,15N
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