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Home> Encyclopedia > Hot Product Listed C   > Chloroquine diphosphate
50-63-5 structure

Chloroquine diphosphate

Iupac Name:4-N-(7-chloroquinolin-4-yl)-1-N,1-N-diethylpentane-1,4-diamine;phosphoric acid
CAS No.:50-63-5
EINECS(EC#): 200-055-2
Molecular Weight:515.865
Molecular Formula:C18H32ClN3O8P2 (isomer)
Names and Identifiers
Synonyms

1,4-Pentanediamine, N4-(7-chloro-4-quinolinyl)-N1,N1-diethyl-, phosphate (1:2) 7-Chloro-4-[4-(diethylamino)-1-methylbutylamino]quinoline Diphosphate Chloroquine diphosphate salt Chloroquine phosphate N4-(7-Chloro-4-quinolyl)-N1,N1-diethyl-1,4-pentanediamine Diphosphate

Inchi
InChI=1S/C18H26ClN3.2H3O4P/c1-4-22(5-2)12-6-7-14(3)21-17-10-11-20-18-13-15(19)8-9-16(17)18;2*1-5(2,3)4/h8-11,13-14H,4-7,12H2,1-3H3,(H,20,21);2*(H3,1,2,3,4)
InChkey
QKICWELGRMTQCR-UHFFFAOYSA-N
Canonical Smiles
CCN(CC)CCCC(C)NC1=C2C=CC(=CC2=NC=C1)Cl.OP(=O)(O)O.OP(=O)(O)O
Properties
Appearance
White Solid
Melting Point
200 °C
Boiling Point
460.6 °C at 760 mmHg
Flash Point
460.6 °C at 760 mmHg
Solubility
VERY SLIGHTLY SOL IN WATER; SOL IN DIL ACIDS, CHLOROFORM, ETHER
Insoluble in alcohol, benzene, chloroform, ether.
In water, 0.14 mg/L at 25 deg C (est)
Color/Form
WHITE TO SLIGHTLY YELLOW, CRYSTALLINE POWDER
Colorless crystals
HS Code
2933499090
Storage temp
Desiccate at RT
Spectral properties
Intense mass spectral peaks: 58 m/z, 86 m/z, 245 m/z, 290 m/z, 319 m/z
Safety and Handling
Hazard Codes
Xn
Risk Statements
R22
Safety Statements
S22;S24/25
HazardClass
6.1(b)
Hazard Note
H302
PackingGroup
III
Skin, Eye, and Respiratory Irritations
Eleven cases of macular degeneration occurring between the ages of 22 yr and 40 yr are presented. All the patients gave positive history of chloroquine intake and outdoor activity. In 4 of the 11 cases, pterygium was an associated ocular finding. The female to male ratio was 3 to 1. The macular lesions were bilateral and symmetrical in all the cases. It is postulated that the effect of chronic chloroquine ingestion exacerbated by chronic light toxicity might be responsible for this type of macular degeneration presenting in adults. [Obikili AG; East Afr Med J 67 (9): 614-21 (1990)] PubMed Abstract
Transport
UN 1544
Formulations/Preparations
Chloroquine phosphate, USP ... is available as tablets containing either 250 or 500 mg of diphosphate. Approximately 60% of diphosphate represents base. /Chloroquine phosphate/
Arechin; Avloclor; Imagon; Malaquin; Resochin; Tresochin. /Chloroquine diphosphate/
Nivaquine. /Chloroquine Sulfate/
Tablets (as the phosphate), 500 mg. Vials (as the dihydrochloride), 50 mg/ml.
Chloroquine Phosphate: Oral tablets 300 mg or 150 mg (of chloroquine).
Exposure Standards and Regulations
The Approved Drug Products with Therapeutic Equivalence Evaluations List identifies currently marketed prescription drug products, incl chloroquine phosphate, approved on the basis of safety and effectiveness by FDA under sections 505 of the Federal Food, Drug, and Cosmetic Act. /Chloroquine phosphate/
Protective Equipment and Clothing
Eleven cases of macular degeneration occurring between the ages of 22 yr and 40 yr are presented. All the patients gave positive history of chloroquine intake and outdoor activity. In 4 of the 11 cases, pterygium was an associated ocular finding. The female to male ratio was 3 to 1. The macular lesions were bilateral and symmetrical in all the cases. It is postulated that the effect of chronic chloroquine ingestion exacerbated by chronic light toxicity might be responsible for this type of macular degeneration presenting in adults. [Obikili AG; East Afr Med J 67 (9): 614-21 (1990)] PubMed Abstract
Octanol/Water Partition Coefficient
log Kow = 4.63
Disposal Methods
SRP: At the time of review, criteria for land treatment or burial (sanitary landfill) disposal practices are subject to significant revision. Prior to implementing land disposal of waste residue (including waste sludge), consult with environmental regulatory agencies for guidance on acceptable disposal practices.
MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Acute toxicity - Oral, Category 4

2.2 GHS label elements, including precautionary statements

Pictogram(s)
Signal word

Warning

Hazard statement(s)

H302 Harmful if swallowed

Precautionary statement(s)
Prevention

P264 Wash ... thoroughly after handling.

P270 Do not eat, drink or smoke when using this product.

Response

P301+P312 IF SWALLOWED: Call a POISON CENTER/doctor/\u2026if you feel unwell.

P330 Rinse mouth.

Storage

none

Disposal

P501 Dispose of contents/container to ...

2.3 Other hazards which do not result in classification

none

Precursor and Product
product :
54-05-7
54-05-7
Computational chemical data
  • Molecular Weight:515.865g/mol
  • Molecular Formula:C18H32ClN3O8P2
  • Compound Is Canonicalized:True
  • Exact Mass:515.135
  • Monoisotopic Mass:515.135
  • Complexity:359
  • Rotatable Bond Count:8
  • Hydrogen Bond Donor Count:7
  • Hydrogen Bond Acceptor Count:11
  • Topological Polar Surface Area:184A^2
  • Heavy Atom Count:32
  • Defined Atom Stereocenter Count:0
  • Undefined Atom Stereocenter Count:1
  • Defined Bond Stereocenter Count:0
  • Undefined Bond Stereocenter Count:0
  • Isotope Atom Count:0
  • Covalently-Bonded Unit Count:3
  • CACTVS Substructure Key Fingerprint: AAADcfB7PAMEAAAAAAAAAAAAAAAAAAAAAAA8QAAAAAAAAACx8AAAHAIQCCAADCrBHiQ+wPPIEBCg QzRnRICCgCAxByAI2KA4ZpgIIOLB09GEJAhgkADIyAcQgIAOBAAAAAICAAAIAAAABAQAAAAAAAAA AA==
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