Quinapyramine Chloride

Synopsis, Chemistry

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Also known as: Antrycide chloride, Z8nuy5x1rg, 23609-65-6, Nsc48223, Einecs 245-784-7, Unii-z8nuy5x1rg

Molecular Formula

C₁₇H₂₂Cl₂N₆

Molecular Weight

381.3 g/mol

InChI Key

VVIZQGRJJPEJPT-UHFFFAOYSA-N

FDA UNII

Z8NUY5X1RG

1 2D Structure

Quinapyramine Chloride

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

6-[(2-amino-1,6-dimethylpyrimidin-4-ylidene)amino]-1,2-dimethylquinolin-1-ium-4-amine;chloride;hydrochloride

2.1.2 InChI

InChI=1S/C17H20N6.2ClH/c1-10-7-14(18)13-9-12(5-6-15(13)22(10)3)20-16-8-11(2)23(4)17(19)21-16;;/h5-9,18H,1-4H3,(H2,19,20,21);2*1H

2.1.3 InChI Key

VVIZQGRJJPEJPT-UHFFFAOYSA-N

2.1.4 Canonical SMILES

CC1=CC(=NC2=CC3=C(C=C([N+](=C3C=C2)C)C)N)N=C(N1C)N.Cl.[Cl-]

2.2 Other Identifiers

2.2.1 UNII

Z8NUY5X1RG

2.3 Synonyms

2.3.1 Depositor-Supplied Synonyms

1. Antrycide Chloride

2. Z8nuy5x1rg

3. 23609-65-6

4. Nsc48223

5. Einecs 245-784-7

6. Unii-z8nuy5x1rg

7. Nsc 48223

8. Quinpyramine Chloride

9. Pyraldine

10. 4-amino-6-(2-amino-1,6-dimethyl-4-pyrimidinioamino)-1,2-dimethylquinolinium Dichloride

11. Trypacide Prosalt

12. 4-amino-6-((2-amino-1,6-di-methylpyrimidium-4-yl)amino)-1,2-dimethylquinolinium Dichloride

13. 4-amino-6-((2-amino-1,6-dimethyl-4-pyrimidinyl)amino)-1,2-dimethylquinoline Dichloride

14. 4-amino-6-((2-amino-6-methyl-4-pyrimidinyl)amino)-2-methylquinaldinium Methochloride

15. 4-amino-6-(2-amino-6-methyl-4-pyrimidylamino)-2-methylquinaldine-1,1'-dimethochloride

16. Quinaldinium, 4-amino-6-((2-amino-1,6-dimethylpyrimidinium-4-yl)amino)-1-methyl-, Dichloride

17. Quinolinium, 4-amino-6-((2-amino-1,6-dimethyl-4(1h)-pyrimidinylidene)amino)-1,2-dimethyl-, Chloride, Monohydrochloride

18. Chembl2000431

19. Quinapyramine Dichloride [mi]

20. Q27295151

21. Quinolinium,6-dimethylpyrimidium-4-yl)amino]-1,2-dimethyl-, Dichloride

22. Quinolinium, 4-amino-6-((1,2-dihydro-2-imino-1,6-dimethyl-4-pyrimidinyl)amino)-1,2-dimethyl-, Chloride, Hydrochloride (1:1:1)

23. Quinolinium,6-dimethyl-4(1h)-pyrimidinylidene)amino]-1,2-dimethyl-, Chloride, Monohydrochloride

2.4 Create Date

2019-01-15

3 Chemical and Physical Properties

Molecular Formula	C₁₇H₂₂Cl₂N₆
Molecular Weight	381.3 g/mol
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	1
Exact Mass	380.1283001 g/mol
Monoisotopic Mass	380.1283001 g/mol
Topological Polar Surface Area	83.9 Å²
Heavy Atom Count	25
Formal Charge	0
Complexity	551
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	3