Pyronaridine tetraphosphate
Also known as Pyronaridine phosphate, Phenol, 4-((7-chloro-2-methoxybenzo(b)-1,5-naphthyridin-10-yl)amino)-2,6-bis(1-pyrrolidinylmethyl)-, phosphate (1:4), Phenol, 4-((7-chloro-2-methoxybenzo(b)-1,5-naphthyridin-10-yl)amino)-2,6-bis(1-pyrrolidinylmethyl)-, phosphate (1:4) (salt)
Key facts
What buyers check first
- CAS number
- 76748-86-2
- Formula
- C29H44ClN5O18P4
- Molar mass
- 910.04 g/mol
- EC number
- 633-305-8
- HS code
- 293399
- Category
- Heterocyclic compounds
What is Pyronaridine tetraphosphate?
Plain description, key identifiers and synonyms
Pyronaridine tetraphosphate is a chemical substance with the molecular formula C29H44ClN5O18P4 and a molar mass of 910.04 g/mol. Its CAS registry number is 76748-86-2. The IUPAC name is 4-[(7-chloro-2-methoxybenzo[b][1,5]naphthyridin-10-yl)amino]-2,6-bis(pyrrolidin-1-ylmethyl)phenol, phosphoric acid.
Identifiers
Registry numbers, names and line notations, tap to copy
- IUPAC name
- 4-[(7-chloro-2-methoxybenzo[b][1,5]naphthyridin-10-yl)amino]-2,6-bis(pyrrolidin-1-ylmethyl)phenol, phosphoric acid
- CAS number
- 76748-86-2 CAS number cross-checked
- EC number
- 633-305-8
- Molecular formula
- C29H44ClN5O18P4
- UNII
- 2T289F9ACO
- MDL number
- MFCD05863545
- InChIKey
- YKUQEKXHQFYULM-UHFFFAOYSA-N
- InChI
- InChI=1S/C29H32ClN5O2.4H3O4P/c1-37-26-9-8-24-28(33-26)27(23-7-6-21(30)16-25(23)32-24)31-22-14-19(17-34-10-2-3-11-34)29(36)20(15-22)18-35-12-4-5-13-35;4*1-5(2,3)4/h6-9,14-16,36H,2-5,10-13,17-18H2,1H3,(H,31,32);4*(H3,1,2,3,4)
- SMILES (canonical and isomeric)
- COC1=NC2=C(C3=C(C=C(C=C3)Cl)N=C2C=C1)NC4=CC(=C(C(=C4)CN5CCCC5)O)CN6CCCC6.OP(=O)(O)O.OP(=O)(O)O.OP(=O)(O)O.OP(=O)(O)O
Synonyms
- Pyronaridine phosphate
- Phenol, 4-((7-chloro-2-methoxybenzo(b)-1,5-naphthyridin-10-yl)amino)-2,6-bis(1-pyrrolidinylmethyl)-, phosphate (1:4)
- Phenol, 4-((7-chloro-2-methoxybenzo(b)-1,5-naphthyridin-10-yl)amino)-2,6-bis(1-pyrrolidinylmethyl)-, phosphate (1:4) (salt)
- pyronaridine phosphate salt
- Pyranoridine phosphate
- 4-((7-chloro-2-methoxybenzo[b][1,5]naphthyridin-10-yl)amino)-2,6-bis(pyrrolidin-1-ylmethyl)phenol tetrakis(phosphate)
- 4-[(7-chloro-2-methoxybenzo[b][1,5]naphthyridin-10-yl)amino]-2,6-bis(pyrrolidin-1-ylmethyl)phenol, phosphoric acid
- 4-[(7-Chloro-2-methoxybenzo[b][1,5]naphthyridin-10-yl)amino]-2,6-bis(pyrrolidin-1-ylmethyl)phenol Tetrakis(phosphate)
- Pyronaridine tetraphosphate?
- Pyronaridine (tetraphosphate) (Standard)
- 4-[(7-chloro-2-methoxy-1,5-dihydrobenzo[b][1,5]naphthyridin-10-yl)imino]-2,6-bis(pyrrolidin-1-ylmethyl)cyclohexa-2,5-dien-1-one,phosphoric acid
- Pyronaridine tetraphosphate, >=95% (HPLC)
- Phosphoric acid--4-[(7-chloro-2-methoxy-1,5-dihydrobenzo[b][1,5]naphthyridin-10-yl)imino]-2,6-bis[(pyrrolidin-1-yl)methyl]cyclohexa-2,5-dien-1-one (4/1)
Physical and chemical properties
Measured values and descriptors computed from the structure
Physical and chemical properties
Measured values, check the supplier specification for your grade
No measured properties are recorded for this substance yet. Ask suppliers for a technical data sheet.
Values vary by grade. Ask suppliers for the COA or TDS of the batch you buy.
Computed descriptors
Calculated from the structure, useful for screening and formulation
| Molecular weight | 910.04 g/molcalc.Computed value |
|---|---|
| Exact mass | 909.132 Dacalc.Computed value |
| LogP (octanol/water) | 2.37calc.Computed value |
| Topological polar surface area | 384.8 Ųcalc.Computed value |
| Hydrogen bond donors | 14calc.Computed value |
| Hydrogen bond acceptors | 11calc.Computed value |
| Rotatable bonds | 7calc.Computed value |
| Heavy atoms | 57calc.Computed value |
| Rings | 6calc.Computed value |
| Aromatic rings | 4calc.Computed value |
| Fraction sp3 carbons | 0.38calc.Computed value |
| Formal charge | 0calc.Computed value |
| Stereocentres | 0calc.Computed value |
| Components | 5calc.Computed value |
| Lipinski rule of five | Fails (3 violations)calc.Computed value |
Calculated for screening. Confirm critical figures with the supplier.
Murcko scaffold
The ring system that remains when every side chain is removed
c1ccc2c(Nc3cc(CN4CCCC4)cc(CN4CCCC4)c3)c3ncccc3nc2c1
6 rings, 33 atoms.
7 other chemicals share this scaffoldSafety and hazards
GHS classification summary, not a safety data sheet
Hazard statements
- H301Toxic if swallowed.
- H318Causes serious eye damage.
- H361Suspected of damaging fertility or the unborn child.
- H413May cause long lasting harmful effects to aquatic life.
Precautionary statements (14)
- P203Obtain, read and follow all safety instructions before use.
- P264Wash skin thoroughly after handling.
- P264 + P265Wash skin thoroughly after handling. Do not touch eyes.
- P270Do not eat, drink or smoke when using this product.
- P273Avoid release to the environment.
- P280Wear protective gloves, protective clothing, eye protection and face protection.
- P301 + P316If swallowed: Get emergency medical help immediately.
- P305 + P354 + P338If in eyes: Immediately rinse with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing.
- P317Get medical help.
- P318If exposed or concerned, get medical advice.
- P321Specific treatment (see supplemental first aid instructions on the label).
- P330Rinse mouth.
- P405Store locked up.
- P501Dispose of contents and container in accordance with local regulations.
GHS classification summary, not a safety data sheet (SDS). Classifications can differ by supplier, grade and concentration. Always check the supplier's SDS.
Full safety data and first aidPyronaridine tetraphosphate suppliers
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- India, Mumbai ManufacturerUnclaimed profilePyronaridine tetraphosphateGrade, purity and minimum order on requestPrice on request
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Pyronaridine tetraphosphate price
Indicative price range per kg from live supplier offers
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Uses and applications
What the substance is used for, by industry and function
Roles
- antiinfective agent
- antimalarial
- antimicrobial agent
- antimicrobial drug
- antineoplastic agent
- antiparasitic agent
- antiplasmodial drug
- antiprotozoal drug
- pharmaceutical
Regulatory status
Inventories, regulations and trade controls that list this substance
No regulatory list memberships are recorded for this substance yet. Always check the rules of the importing and exporting country before trade.
HS code and trade data
Customs classification and reported world trade statistics
Global trade
World import and export statistics for the HS code Pyronaridine tetraphosphate is traded under.
Heterocyclic compounds with nitrogen hetero-atom(s) only, other
- Slovenia31.7%
- Italy24.2%
- United States5.0%
* Partner reported figures, a lower bound.
The HS code shown for Pyronaridine tetraphosphate is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.
Frequently asked questions
Quick answers about Pyronaridine tetraphosphate, based on the data on this page
What is Pyronaridine tetraphosphate?
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Is Pyronaridine tetraphosphate hazardous?
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Guides for buyers
Practical guides that help when you source, ship or handle Pyronaridine tetraphosphate
- Guide, SafetyHow to read a safety data sheet in 10 minutesA section by section method to pull the essentials out of any 16 section SDS: identity, hazards, composition, storage, PPE, properties, transport and emergency measures.Read
- Guide, SafetyGHS pictograms, signal words and hazard statements explainedA practical guide to the nine GHS pictograms, the signal words Danger and Warning, H and P statements, and how to read a chemical label in seconds.Read
- Article, SourcingHow to write an RFQ that gets fast and accurate quotesWhat suppliers need to quote quickly and comparably: exact product identity, quantity and packing, delivery terms, documents, samples and payment, with a ready to use template.Read
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