chempirical

Primaquine diphosphate

C15H24N3O5PCAS 63-45-6357.35 g/mol

Open in Covalent MOL file
ONHH2NNOPHOHOOH
EtherPhosphatePrimary amineSecondary amine

Properties

Molecular formula
C15H24N3O5P
Molar mass
357.35 g/mol
Exact mass
357.1454 Da
Melting point
197–198 °C
logP
1.85Crippen estimate
Polar surface area
137.9 Ų
H-bond donors / acceptors
5 / 5
Rotatable bonds
6

Identifiers

CAS number
63-45-6
SMILES
COc1cc(NC(C)CCCN)c2ncccc2c1.O=P(O)(O)O
InChIKey
RKFFPTPBADAVDU-UHFFFAOYSA-N
InChI
InChI=1S/C15H21N3O.H3O4P/c1-11(5-3-7-16)18-14-10-13(19-2)9-12-6-4-8-17-15(12)14;1-5(2,3)4/h4,6,8-11,18H,3,5,7,16H2,1-2H3;(H3,1,2,3,4)

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

12 names
  • 1,4-Pentanediamine, N4-(6-methoxy-8-quinolinyl)-, phosphate (1:2)
  • Quinoline, 8-[(4-amino-1-methylbutyl)amino]-6-methoxy-, phosphate (1:2)
  • Quinoline, 8-[(4-amino-1-methylbutyl)amino]-6-methoxy-, diphosphate
  • 8-(4-Amino-1-methylbutylamino)-6-methoxyquinoline di(dihydrogen phosphate)
  • 8-(4-Amino-1-methylbutylamino)-6-methoxyquinoline diphosphate
  • Primaquine phosphate
  • WR 2975
  • NSC 149765
  • Pharmaniaga
  • Camden
  • Malquine
  • Primaquine bisphosphate

Work with Primaquine diphosphate

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Primaquine90-34-683 % similar 6-Methoxy-8-aminoquinoline90-52-842 % similar (±)-Chloroquine diphosphate50-63-539 % similar 6-Methoxyquinoline5263-87-633 % similar 6-Bromo-8-methoxyquinoline103028-32-631 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

PubChem CAS Common Chemistry NIST WebBook