chempirical

Naphthoquine phosphate

C24H34ClN3O9P2CAS 173531-58-3605.95 g/mol

Open in Covalent MOL file
NHOHNHNClOHPOHOOHOHPOHOOH
Aryl halidePhenolPhosphateSecondary amine

Properties

Molecular formula
C24H34ClN3O9P2
Molar mass
605.95 g/mol
Exact mass
605.1459 Da
logP
4.25Crippen estimate
Polar surface area
212.7 Ų
H-bond donors / acceptors
9 / 6
Rotatable bonds
4

Identifiers

CAS number
173531-58-3
SMILES
CC(C)(C)NCC1=CC(=C2CCCCC2=C1O)NC3=C4C=CC(=CC4=NC=C3)Cl.OP(=O)(O)O.OP(=O)(O)O
InChIKey
QTYPWHKJEDCDNH-UHFFFAOYSA-N
InChI
InChI=1S/C24H28ClN3O.2H3O4P/c1-24(2,3)27-14-15-12-22(17-6-4-5-7-18(17)23(15)29)28-20-10-11-26-21-13-16(25)8-9-19(20)21;2*1-5(2,3)4/h8-13,27,29H,4-7,14H2,1-3H3,(H,26,28);2*(H3,1,2,3,4)

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Work with Naphthoquine phosphate

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

(±)-Chloroquine diphosphate50-63-544 % similar Piperaquine phosphate85547-56-441 % similar Amodiaquine86-42-038 % similar Amodiaquine hydrochloride69-44-337 % similar 7-Chloro-4-hydrazinylquinoline23834-14-236 % similar Amodiaquine dihydrochloride dihydrate6398-98-736 % similar Glafenine3820-67-534 % similar (±)-Desethylchloroquine1476-52-433 % similar

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

Elsewhere

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