ADX- 629

Synopsis, Chemistry

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Also known as: Acloproxalap, Acloproxalap [inn], 9je45qu76c, 1824609-67-7, Adx 629 [who-dd], 3-amino-alpha,alpha-dimethyl-2-quinolinemethanol

Molecular Formula

C₁₂H₁₄N₂O

Molecular Weight

202.25 g/mol

InChI Key

NOFRQDXKZDAYGB-UHFFFAOYSA-N

FDA UNII

9JE45QU76C

1 2D Structure

ADX- 629

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

2-(3-aminoquinolin-2-yl)propan-2-ol

2.1.2 InChI

InChI=1S/C12H14N2O/c1-12(2,15)11-9(13)7-8-5-3-4-6-10(8)14-11/h3-7,15H,13H2,1-2H3

2.1.3 InChI Key

NOFRQDXKZDAYGB-UHFFFAOYSA-N

2.1.4 Canonical SMILES

CC(C)(C1=NC2=CC=CC=C2C=C1N)O

2.2 Other Identifiers

2.2.1 UNII

9JE45QU76C

2.3 Synonyms

2.3.1 Depositor-Supplied Synonyms

1. Acloproxalap

2. Acloproxalap [inn]

3. 9je45qu76c

4. 1824609-67-7

5. Adx 629 [who-dd]

6. 3-amino-alpha,alpha-dimethyl-2-quinolinemethanol

7. 2-quinolinemethanol, 3-amino-alpha,alpha-dimethyl-

8. Adx 629

9. Unii-9je45qu76c

10. Chembl4994054

11. Schembl16316728

12. Gtpl12097

13. Akos027201275

14. Zinc238196950

15. Compound 5 [wo2020223685a1]

16. Hy-147240

17. Cs-0541909

18. En300-256021

19. Z1509466084

2.3.2 Other Synonyms

1. Adx- 629

2. Adx-629

2.4 Create Date

2016-02-23

3 Chemical and Physical Properties

Molecular Formula	C₁₂H₁₄N₂O
Molecular Weight	202.25 g/mol
XLogP3	1.8
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	1
Exact Mass	g/mol
Monoisotopic Mass	g/mol
Topological Polar Surface Area	59.1
Heavy Atom Count	15
Formal Charge	0
Complexity	230
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1