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3,5-Dibromo-L-tyrosine

3,5-Dibromo-L-tyrosine structure

CAS No:
300-38-9
Formula:
C9H9Br2NO3
Chemical Name:
3,5-Dibromo-L-tyrosine
Synonyms:
L-Tyrosine,3,5-dibromo-;Tyrosine,3,5-dibromo-,L-;3,5-Dibromo-L-tyrosine;3,5-Dibromotyrosine;β-(3,5-Dibromo-4-hydroxyphenyl)alanine;Biotiren;Bromotiren;NSC 210786;NSC 97935;(2S)-2-Azaniumyl-3-(3,5-dibromo-4-hydroxyphenyl)propanoate
Categories:
Biochemical Engineering > Amino Acids and Derivatives

Description

Crystalline

3,5-dibromo-L-tyrosine is a bromoamino acid that is L-tyrosine carrying bromo- substituents at positions C-3 and C-5 of the benzyl group. It has a role as an antithyroid drug and a human xenobiotic metabolite. It is a dihalogenated L-tyrosine, a non-proteinogenic L-alpha-amino acid and a bromoamino acid.

3,5-Dibromo-L-tyrosine Basic Attributes

Molecular Weight：

338.98

Exact Mass：

338.98

EC Number：

206-091-5

UNII：

QD49LEP46E

ATC Code：

H - Systemic hormonal preparations, excl. sex hormones and insulins

Characteristics

PSA：

83.6

XLogP3：

2.31

Appearance：

Crystalline

Density：

2.0±0.1 g/cm3

Melting Point：

245 °C

Boiling Point：

416.6±45.0 °C at 760 mmHg

Flash Point：

205.7±28.7 °C

Refractive Index：

1.669

Water Solubility：

>50.8 [ug/mL]

Storage Conditions：

Store at RT.

Collision Cross Section：

155.6 Å² [M-H]- [CCS Type: DT, Method: stepped-field]|155.1 Å² [M-H]-

Safety Information

Hazard category：

IRRITANT

wgk germany：

safety instructions：

22-24/25

Drug Information

MeSH Entry Terms：

3,5-dibromotyrosine

3,5-Dibromo-L-tyrosine Use and Manufacturing

3,5-Dibromo-L-tyrosine is a dibrominated derivative of L-Tyrosine (T899975), one of the 22 proteinogenic amino acids that are used by cells to synthesize proteins.

Computed Properties

Molecular Weight:338.98
XLogP3:-0.4
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:3
Exact Mass:338.89287
Monoisotopic Mass:336.89492
Topological Polar Surface Area:83.6
Heavy Atom Count:15
Complexity:227
Defined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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CAS No.: 300-38-9

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Guide of 3,5-Dibromo-L-tyrosine

Description
Basic Attributes
Characteristics
Safety Information
Drug Information
Use and Manufacturing
Computed Properties
Recommended Suppliers
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3,5-Dibromo-L-tyrosine

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