Pyronaridine
Basic information
- CAS
74847-35-1- Standard SMILES
COc1ccc2nc3cc(Cl)ccc3c(Nc3cc(CN4CCCC4)c(O)c(CN4CCCC4)c3)c2n1- InChIKey
DJUFPMUQJKWIJB-UHFFFAOYSA-N- Molecular formula
- C29H32ClN5O2
- Average molar mass
- 518 g/mol
- Monoisotopic mass
- 517.224453
Overview
Pyronaridine is an aminoquinoline.
Names & identifiers
- Preferred name
- Pyronaridine
- IUPAC
- 4-[(7-chloro-2-methoxybenzo[b][1,5]naphthyridin-10-yl)amino]-2,6-bis(pyrrolidin-1-ylmethyl)phenol
- English name
- Pyronaridine
- Molecular formula
- C29H32ClN5O2
- Molecular weight
- 518.05
Names & synonyms
Pyronaridine74847-35-1MalaridineBenzonaphthyridine 7351pironaridina2-Methoxy-7-chloro-10-(3',5'-bis(pyrrolin-1-ylmethyl)-4'-hydroxyphenylamino)benzo(b)-1,5-naphthyridineTD3P7Q3SG64-[(7-chloro-2-methoxybenzo[b][1,5]naphthyridin-10-yl)amino]-2,6-bis(pyrrolidin-1-ylmethyl)phenol4-((7-Chloro-2-methoxybenzo(b)-1,5-naphthyridin-10-yl)amino)-2,6-bis(1-pyrrolidinylmethyl)phenolDTXSID609963544-((7-chloro-2-methoxybenzo[b][1,5]naphthyridin-10-yl)amino)-2,6-bis(pyrrolidin-1-ylmethyl)phenol4-[(7-Chloro-2-methoxybenzo[b]-1,5-naphthyridin-10-yl)amino]-2,6-bis(1-pyrrolidinylmethyl)phenol
Show more names
Malaridine phosphateFlonadineMalaridine Impurity4-[(7-chloro-2-methoxy-1,5-dihydrobenzo[b][1,5]naphthyridin-...4-(2-Methoxy-6-chloro-1,10-diazaanthracene-9-ylamino)-2,6-bis(pyrrolizinomethyl)phenol4-(7-chloro-2-Methoxybenzo[b][1,5]naphthyridin-10-ylaMino)-2,6-bis(pyrrolidin-1-ylMethyl)phenolPhenol, 4-[(7-chloro-2-methoxybenzo[b]-1,5-naphthyridin-10-yl)amino]-2,6-bis(1-pyrrolidinylmethyl)-
Properties
Computed structural properties
- XLogP
- 5.3
- Topological polar surface area
- 73.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 7
- Heavy atoms
- 37
- Formal charge
- 0
- Complexity
- 707
Experimental & physicochemical properties
DrugsPharmaceuticals -> Listed in ZINC15
Physicochemical properties
- Boiling point
- 621.3 · 621.3±55.0 °C(Predicted)
- Density
- 1.356 · 1.356±0.06 g/cm3 (20℃ 760 Torr)
- refractive index
- 1.565 · 1.5650 (estimate)
- solubility
- DMSO (Slightly), Water (Slightly)
- form
- Solid
- pka
- 8.2 · 8.20±0.50(Predicted)
- color
- Light Yellow to Orange
- Stability
- Incompatible with strong oxidizing agents.
- InChIKey
- DJUFPMUQJKWIJB-UHFFFAOYSA-N
- SMILES
- C1(O)=C(CN2CCCC2)C=C(NC2=C3C(=NC4=CC(Cl)=CC=C42)C=CC(OC)=N3)C=C1CN1CCCC1
- CAS DataBase Reference
- 74847 · 74847-35-1
- FDA UNII
- 3 P7Q3SG6 · TD3P7Q3SG6
Chemistry & industry
Pharmacology
MeSH Pharmacological ClassificationAgents used in the treatment of malaria. They are usually classified on the basis of their action against plasmodia at different stages in their life cycle in the human. (From AMA, Drug Evaluations Annual, 1992, p1585)
Additional notes
DefinitionChEBI: Pyronaridine is an aminoquinoline.
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