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Technical details about Chiglitazar Sodium, learn more about the structure, uses, toxicity, action, side effects and more

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2D Structure
1. Also known as: 1959588-75-0, Chiglitazar sodium, (+/-)-, 95ky7g69xv, Dl-tyrosine, o-(2-(9h-carbazol-9-yl)ethyl)-n-(2-(4-fluorobenzoyl)phenyl)-, sodium, Tyrosine, o-(2-(9h-carbazol-9-yl)ethyl)-n-(2-(4-fluorobenzoyl)phenyl)-, sodium salt (1:1), Unii-95ky7g69xv
Molecular Formula
C36H28FN2NaO4
Molecular Weight
594.6  g/mol
InChI Key
RMVIEXHXRDCWBT-UHFFFAOYSA-M
FDA UNII
95KY7G69XV

1 2D Structure

2D Structure

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
sodium;3-[4-(2-carbazol-9-ylethoxy)phenyl]-2-[2-(4-fluorobenzoyl)anilino]propanoate
2.1.2 InChI
InChI=1S/C36H29FN2O4.Na/c37-26-17-15-25(16-18-26)35(40)30-9-1-4-10-31(30)38-32(36(41)42)23-24-13-19-27(20-14-24)43-22-21-39-33-11-5-2-7-28(33)29-8-3-6-12-34(29)39;/h1-20,32,38H,21-23H2,(H,41,42);/q;+1/p-1
2.1.3 InChI Key
RMVIEXHXRDCWBT-UHFFFAOYSA-M
2.1.4 Canonical SMILES
C1=CC=C2C(=C1)C3=CC=CC=C3N2CCOC4=CC=C(C=C4)CC(C(=O)[O-])NC5=CC=CC=C5C(=O)C6=CC=C(C=C6)F.[Na+]
2.2 Other Identifiers
2.2.1 UNII
95KY7G69XV
2.3 Synonyms
2.3.1 Depositor-Supplied Synonyms

1. 1959588-75-0

2. Chiglitazar Sodium, (+/-)-

3. 95ky7g69xv

4. Dl-tyrosine, O-(2-(9h-carbazol-9-yl)ethyl)-n-(2-(4-fluorobenzoyl)phenyl)-, Sodium

5. Tyrosine, O-(2-(9h-carbazol-9-yl)ethyl)-n-(2-(4-fluorobenzoyl)phenyl)-, Sodium Salt (1:1)

6. Unii-95ky7g69xv

7. Carfloglitazar Sodium [who-dd]

8. Schembl23086249

9. 3-(4-(2-(9h-carbazol-9-yl)ethoxy)phenyl)-2-((2-(4-fluorobenzoyl)phenyl)amino)propanoic Acid Sodium Salt

2.4 Create Date
2008-02-05
3 Chemical and Physical Properties
Molecular Weight 594.6 g/mol
Molecular Formula C36H28FN2NaO4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count11
Exact Mass g/mol
Monoisotopic Mass g/mol
Topological Polar Surface Area83.4
Heavy Atom Count44
Formal Charge0
Complexity902
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count2
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