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Diiodothyronine

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

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Description

Off-White Solid

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

Diiodothyronine Basic Attributes

Molecular Weight：

525.08

Exact Mass：

525.08

EC Number：

213-867-7

UNII：

CAL3MRM51F

HScode：

29225090

Characteristics

PSA：

92.8

XLogP3：

1.1

Appearance：

Off-white solid

Density：

2.095±0.06 g/cm3(Predicted)

Melting Point：

255 °C

Boiling Point：

559.4±50.0 °C(Predicted)

Flash Point：

292.1±30.1 °C

Refractive Index：

1.726

Storage Conditions：

2-8ºC

Vapor Pressure：

2.39E-13mmHg at 25°C

Collision Cross Section：

198.5 Å² [M+H]+ [CCS Type: DT, Method: single field calibrated with ESI Low Concentration Tuning Mix (Agilent)]|189.4 Å² [M+Na]+ [CCS Type: DT, Method: single field calibrated with ESI Low Concentration Tuning Mix (Agilent)]|188.2 Å² [M-H]- [CCS Type: DT, Method: single field calibrated with ESI Low Concentration Tuning Mix (Agilent)]

Safety Information

Transport codes：

NONH for all modes of transport

wgk germany：

hazard class code：

R22

safety instructions：

24/25

Marks：

Precautionary statement(s)：

P264, P270, P301+P312, P330, P501

Hazard Statements：

H302

GHS Classification：

|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

MeSH Entry Terms：

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

Recommended Suppliers of Diiodothyronine

HANGZHOU LEAP CHEM CO., LTD. Contact Supplier

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5 YRS

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3,5-Diiodo-L-thyronine

CAS No.: 1041-01-6

Content: 99.00%

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Hangzhou Hyper Chemicals Limited Contact Supplier

CN
5 YRS

Business licensed

Trader Supplier of Pharmaceuticals,Peptide,Cosmetics,Nutritional Supplements

3,5-diiodo-L-thyronine 99%

CAS No.: 1041-01-6

Grade: Pharmaceutical Grade

Content: 99.5%

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