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Diiodothyronine

Diiodothyronine structure

Diiodothyronine 

structure
  • CAS No:

    1041-01-6

  • Formula:

    C15H13I2NO4

  • Chemical Name:

    Diiodothyronine

  • Synonyms:

    L-Tyrosine,O-(4-hydroxyphenyl)-3,5-diiodo-;Alanine,3-[4-(p-hydroxyphenoxy)-3,5-diiodophenyl]-,L-;O-(4-Hydroxyphenyl)-3,5-diiodo-L-tyrosine;3,5-Diiodo-L-thyronine;Diiodothyronine;Diiodo-L-thyronine;3,5-Diiodothyronine;L-3,5-Diiodothyronine;L-T2;L-Diiodothyronine;NSC 90469;(2S)-2-Amino-3-[4-(4-hydroxyphenoxy)-3,5-diiodophenyl]propanoic acid;(2S)-2-Amino-3-[4-(4-hydroxyphenoxy)-3,5-diiodophenyl]propanoic acid;30804-67-2;243965-18-6

  • Categories:

    Pharmaceutical Intermediates  >  Bulk Drug Intermediates

Description

Off-White Solid


(2S)-2-amino-3-[4-(4-hydroxyphenoxy)-3,5-diiodophenyl]propanoic acid is a phenylalanine derivative.

Diiodothyronine Basic Attributes

525.08

525.08

213-867-7

CAL3MRM51F

29225090

Characteristics

92.8

1.1

Off-white solid

2.095±0.06 g/cm3(Predicted)

255 °C

559.4±50.0 °C(Predicted)

292.1±30.1 °C

1.726

2-8ºC

2.39E-13mmHg at 25°C

198.5 Ų [M+H]+ [CCS Type: DT, Method: single field calibrated with ESI Low Concentration Tuning Mix (Agilent)]|189.4 Ų [M+Na]+ [CCS Type: DT, Method: single field calibrated with ESI Low Concentration Tuning Mix (Agilent)]|188.2 Ų [M-H]- [CCS Type: DT, Method: single field calibrated with ESI Low Concentration Tuning Mix (Agilent)]

Safety Information

NONH for all modes of transport

3

R22

24/25

Xn

P264, P270, P301+P312, P330, P501

H302

|Warning|H302 (94.23%): Harmful if swallowed [Warning Acute toxicity, oral]|P264, P270, P301+P312, P330, and P501|Aggregated GHS information provided by 52 companies from 3 notifications to the ECHA C&L Inventory.

Drug Information

3,5-diiodo-DL-thyronine

Diiodothyronine Use and Manufacturing

Of interest for the early detection and treatment of congenital or drug-induced hypothyroidism.

Computed Properties

Molecular Weight:525.08
XLogP3:1.1
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:5
Exact Mass:524.89340
Monoisotopic Mass:524.89340
Topological Polar Surface Area:92.8
Heavy Atom Count:22
Complexity:365
Defined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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