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2D Structure
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

2D Structure

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 Weight 381.3 g/mol
Molecular Formula C17H22Cl2N6
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Exact Mass380.1283001 g/mol
Monoisotopic Mass380.1283001 g/mol
Topological Polar Surface Area83.9 Ų
Heavy Atom Count25
Formal Charge0
Complexity551
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count3