Chloroquine diphosphate
CAS Number: 50-63-5
Molecular Mass: 515.9 g/mol
Formula: C18H32ClN3O8P2
Smiles: CCN(CC)CCCC(C)Nc1ccnc2cc(Cl)ccc12.O=P(O)(O)O.O=P(O)(O)O
Synonymes:
Chloroquine diphosphate, Chloroquine phosphate, Aralen phosphate, Resochin, Arechin, Avloclor, Delagil, Chingamin phosphate, Malaquin, Chloroquini phosphas, NSC-14050, 6E17K3343P, SN-7618, WR-1522, 7-Chloro-4-((4-(diethylamino)-1-methylbutyl)amino)quinoline phosphate (1:2), 1,4-Pentanediamine, N4-(7-chloro-4-quinolinyl)-N1,N1-diethyl-, phosphate (1:2), N(4)-(7-Chloro-4-quinolinyl)-N(1),N(1)-diethyl-1,4-pentanediamine, phosphate (1:2), khingamin phosphate, NSC14050, Malarivon, Chloroquinum Phos., RefChem:5672, Chloroquine diphosphate salt, Aralen diphosphate, Chloroquine bis(phosphate), Chloroquine (phosphate), Miniquine, Tanakan, Tanakene, Gontochin phosphate, Chloroquin diphosphate, NSC 14050, Ipsen 225, N4-(7-chloroquinolin-4-yl)-N1,N1-diethylpentane-1,4-diamine bis(phosphate), MFCD00069852, DTXSID7044681, 3377 RP, Chloroquine (phosphate) (Standard), SN 7,618, Alermine, H-Stadur, 1,4-Pentanediamine, N(sup 4)-(7-chloro-4-quinolinyl)-N(sup 1),N(sup 1)-diethyl-, phosphate (1:2), Chlorochin diphosphate, DTXCID5024681, Tanakan (antimalarial), dl-Chloroquine diphosphate, C18H32ClN3O8P2, Chloroquinediphosphate, CCRIS 1554, 4-N-(7-chloroquinolin-4-yl)-1-N,1-N-diethylpentane-1,4-diamine, phosphoric acid, SR-01000075548, EINECS 200-055-2, WR 1522, Chloroquine dihydrogen phosphate (1:2), Unikinon, AI3-14952, UNII-6E17K3343P, Chloroquine phosphate [USP:BAN], Chloroquindiphosphat, Prestwick_867, 50-63-5 (DIPHOSPHATE), Aralen (TN), Chloroquine phospha te, CAS-50-63-5, NCGC00015256-01, 7-Chlor-4-(4-(diaethylamino)-1-methylbutylamino)-chinolindiphosphat [German], Chloroquine phosphate (USP), SCHEMBL40827, CHEMBL58510, SPECTRUM1500179, orb1310848, SCHEMBL29383276, HMS501E06, QKICWELGRMTQCR-UHFFFAOYSA-N, HMS1569N17, HMS1920O05, HMS2091C16, HMS2096N17, HMS3260L14, HMS3713N17, MSK10133, CHLOROQUINE DIPHOSPHATE [MI], Tox21_110115, Tox21_202838, Tox21_500296, 7-Chlor-4-(4-(diaethylamino)-1-methylbutylamino)-chinolindiphosphat, CCG-39643, CHLOROQUINE PHOSPHATE [VANDF], EBC-07364, HB5073, HY-17589R, s4157, CHLOROQUINE PHOSPHATE [MART.], AKOS004910410, CHLOROQUINE PHOSPHATE [USP-RS], CHLOROQUINE PHOSPHATE [WHO-DD], CHLOROQUINE PHOSPHATE [WHO-IP], N4-(7-chloro-4-quinolyl)-N1,N1-diethyl-pentane-1,4-diamine, phosphoric acid, Quinoline, 7-chloro-4-(4-diethylamino-1-methyl-butylamino)-, diphosphate, Tox21_110115_1, CS-3811, DT-0015, FC20382, LP00296, 1,4-Pentanediamine, N4-(7-chloro-4-quinolinyl)-N',N'-diethyl-, (+-)-, phosphate (1:2), Quinoline, 7-chloro-4-((4-(diethylamino)-1-methylbutyl)amino)-, phosphate (1:2), NCGC00015256-12, NCGC00093746-01, NCGC00093746-02, NCGC00093746-03, NCGC00260384-01, NCGC00260981-01, AC-12463, CHLOROQUINE PHOSPHATE [GREEN BOOK], HY-17589, SY021941, CHLOROQUINE PHOSPHATE [ORANGE BOOK], CHLOROQUINE PHOSPHATE [EP MONOGRAPH], CHLOROQUINI PHOSPHAS [WHO-IP LATIN], DB-051808, C2301, Chloroquine diphosphate salt, solid, >=98%, CHLOROQUINE PHOSPHATE [USP MONOGRAPH], CS-0695021, EU-0100296, NS00078674, C 6628, D02125, D70732, EN300-100253, Chloroquine phosphate for peak identification CRS, F358020, SR-01000075548-1, SR-01000075548-3, SR-01000075548-5, Q27264629, F2173-1139, Z1541662176, 7-Chloro-4-[4-(diethylamino)-1-methylbutylamino]quinoline Bis(phosphate), 7-Chloro-4-[4-(diethylamino)-1-methylbutylamino]quinoline Diphosphate, Chloroquine phosphate, United States Pharmacopeia (USP) Reference Standard, N4-(7-Chloro-4-quinolyl)-N1,N1-diethyl-1,4-pentanediamine Diphosphate, 7-CHLORO-4-((4-(DIETHYLAMINO)-1-METHYLBUTYL)AMINO)QUINOLINE PHOSPHATE (1:2)., 7-CHLORO-N-[5-(DIETHYLAMINO)PENTAN-2-YL]QUINOLIN-4-AMINE, BIS(PHOSPHORIC ACID), Chloroquine phosphate, Pharmaceutical Secondary Standard, Certified Reference Material, N4-(7-Chloro-4-quinolinyl)-N1,N1-diethyl-1,4-pentanediamine diphosphate salt, N4-(7-chloro-4-quinolyl)-N1,N1-diethyl-pentane-1,4-diamine, phosphoric acid, Phosphoric acid--N~4~-(7-chloroquinolin-4-yl)-N~1~,N~1~-diethylpentane-1,4-diamine (2/1)
Bioactivity: -
Solubility in Different Solvents
| Solvent | Temperature [K] | Crystal form | Solubility [mg/mL] | Reference |
|---|---|---|---|---|
| 1-Propanol | 273.15 | - | 0.0138 | [137] |
| 1-Propanol | 278.15 | - | 0.01793 | [137] |
| 1-Propanol | 283.15 | - | 0.02342 | [137] |
| 1-Propanol | 288.15 | - | 0.0296 | [137] |
| 1-Propanol | 293.15 | - | 0.03683 | [137] |
| 1-Propanol | 298.15 | - | 0.04441 | [137] |
| 1-Propanol | 303.15 | - | 0.05376 | [137] |
| 1-Propanol | 308.15 | - | 0.06476 | [137] |
| 1-Propanol | 313.15 | - | 0.0779 | [137] |
| Acetone | 298.2 | - | 0.0293 | [138] |
| Acetone | 303.2 | - | 0.0319 | [138] |
| Acetone | 308.2 | - | 0.035 | [138] |
| Acetone | 313.2 | - | 0.0395 | [138] |
| Acetone | 318.2 | - | 0.0453 | [138] |
| Acetone | 323.2 | - | 0.0577 | [138] |
| Acetone | 328.1 | - | 0.07264 | [138] |
| Acetonitrile | 299.2 | - | 0.0234 | [138] |
| Acetonitrile | 303.2 | - | 0.0242 | [138] |
| Acetonitrile | 308.2 | - | 0.025 | [138] |
| Acetonitrile | 313.2 | - | 0.0258 | [138] |
| Acetonitrile | 318.2 | - | 0.0266 | [138] |
| Acetonitrile | 323.2 | - | 0.028 | [138] |
| Acetonitrile | 328.3 | - | 0.03075 | [138] |
| Acetonitrile | 333.3 | - | 0.0334 | [138] |
| Dimethylformamide | 273.15 | - | 0.0382 | [137] |
| Dimethylformamide | 278.15 | - | 0.05242 | [137] |
| Dimethylformamide | 283.15 | - | 0.0692 | [137] |
| Dimethylformamide | 288.15 | - | 0.0889 | [137] |
| Dimethylformamide | 293.15 | - | 0.1104 | [137] |
| Dimethylformamide | 298.15 | - | 0.1377 | [137] |
| Dimethylformamide | 303.15 | - | 0.1681 | [137] |
| Dimethylformamide | 308.15 | - | 0.2056 | [137] |
| Dimethylformamide | 313.15 | - | 0.248 | [137] |
| Ethanol | 273.15 | - | 0.03452 | [137] |
| Ethanol | 278.15 | - | 0.04458 | [137] |
| Ethanol | 283.15 | - | 0.05931 | [137] |
| Ethanol | 288.15 | - | 0.07756 | [137] |
| Ethanol | 293.15 | - | 0.09779 | [137] |
| Ethanol | 298.15 | - | 0.1217 | [137] |
| Ethanol | 298.2 | - | 0.1706 | [138] |
| Ethanol | 303.1 | - | 0.181 | [138] |
| Ethanol | 303.15 | - | 0.1473 | [137] |
| Ethanol | 308.15 | - | 0.1767 | [137] |
| Ethanol | 308.2 | - | 0.1982 | [138] |
| Ethanol | 313.1 | - | 0.217 | [138] |
| Ethanol | 313.15 | - | 0.2098 | [137] |
| Ethanol | 318.2 | - | 0.2347 | [138] |
| Ethanol | 323.2 | - | 0.26 | [138] |
| Ethanol | 328.1 | - | 0.2915 | [138] |
| Ethanol | 333.2 | - | 0.3093 | [138] |
| Isopropanol | 273.15 | - | 0.0074 | [137] |
| Isopropanol | 278.15 | - | 0.0103 | [137] |
| Isopropanol | 283.15 | - | 0.01384 | [137] |
| Isopropanol | 288.15 | - | 0.01817 | [137] |
| Isopropanol | 293.15 | - | 0.02313 | [137] |
| Isopropanol | 298.15 | - | 0.0295 | [137] |
| Isopropanol | 303.15 | - | 0.03688 | [137] |
| Isopropanol | 308.15 | - | 0.04531 | [137] |
| Isopropanol | 313.15 | - | 0.0541 | [137] |
| Tetrahydrofuran | 298.2 | - | 0.1975 | [138] |
| Tetrahydrofuran | 303.1 | - | 0.249 | [138] |
| Tetrahydrofuran | 308.1 | - | 0.3047 | [138] |
| Tetrahydrofuran | 313.1 | - | 0.3579 | [138] |
| Tetrahydrofuran | 318.0 | - | 0.4067 | [138] |
| Tetrahydrofuran | 323.2 | - | 0.4504 | [138] |
| Tetrahydrofuran | 328.2 | - | 0.4785 | [138] |
| Tetrahydrofuran | 333.2 | - | 0.5001 | [138] |
| Water | 298.2 | - | 254.8 | [138] |
| Water | 303.2 | - | 285.9 | [138] |
| Water | 308.2 | - | 322.5 | [138] |
| Water | 313.2 | - | 374.6 | [138] |
| Water | 318.1 | - | 462.5 | [138] |
| Water | 323.2 | - | 569.7 | [138] |
| Water | 328.3 | - | 714.1 | [138] |
| Water | 333.3 | - | 853.1 | [138] |
Molecule 3D descriptors
| Descriptor | Value |
|---|---|
| PMI1 | 943.9345 |
| PMI2 | 7293.6482 |
| PMI3 | 7656.1811 |
| NPR1 | 0.1233 |
| NPR2 | 0.9526 |
| RadiusOfGyration | 3.9249 |
| InertialShapeFactor | 0.0010 |
| Eccentricity | 0.9924 |
| Asphericity | 0.6770 |
| SpherocityIndex | 0.1687 |
| PBF | 0.7361 |