1 2D Structure

2D Structure

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

(3,5-dibromo-4-hydroxyphenyl)-[4,5,6,7-tetradeuterio-2-(1-hydroxyethyl)-1-benzofuran-3-yl]methanone

2.1.2 InChI

InChI=1S/C17H12Br2O4/c1-8(20)17-14(10-4-2-3-5-13(10)23-17)15(21)9-6-11(18)16(22)12(19)7-9/h2-8,20,22H,1H3/i2D,3D,4D,5D

2.1.3 InChI Key

ZYHWDBVIUWBPCO-QFFDRWTDSA-N

2.2 Other Identifiers

2.2.1 UNII

YD1DAU7167

2.3 Synonyms

2.3.1 Depositor-Supplied Synonyms

1. Pozdeutinurad [inn]

2. Pozdeutinurad (usan/inn)

3. Pozedeutinurad [usan]

4. Yd1dau7167

5. Chembl5314536

6. Schembl22032803

7. D13063

8. (3,5-dibromo-4-hydroxyphenyl)[2-(1-hydroxyethyl)-3-benzofuranyl-4,5,6,7-d4]methanone

9. Methanone, (3,5-dibromo-4-hydroxyphenyl)[2-(1-hydroxyethyl)-3-benzofuranyl-4,5,6,7-d4]-

10. 2173408-41-6

2.4 Create Date

2019-12-06

3 Chemical and Physical Properties

Molecular Formula	C₁₇H₁₂Br₂O₄
Molecular Weight	444.1 g/mol
XLogP3	4.2
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	3
Exact Mass	Da
Monoisotopic Mass	Da
Topological Polar Surface Area	70.7
Heavy Atom Count	23
Formal Charge	0
Complexity	434
Isotope Atom Count	4
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1

Pozdeutinurad