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Suanfarma Suanfarma

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Technical details about ADX- 629, learn more about the structure, uses, toxicity, action, side effects and more

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2D Structure
1. 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

2D Structure

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 Weight 202.25 g/mol
Molecular Formula C12H14N2O
XLogP31.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Exact Mass g/mol
Monoisotopic Mass g/mol
Topological Polar Surface Area59.1
Heavy Atom Count15
Formal Charge0
Complexity230
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1
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