AG0034LP

50-63-5 | Quinoline, 7-chloro-4-[(4-diethylamino-1-methylbutyl)amino]-, diphosphate (6CI)

AG0034LP

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CAS Number	50-63-5
Catalog Number	AG0034LP(AGN-PC-0S8OWJ)
Chemical Name	Quinoline, 7-chloro-4-[(4-diethylamino-1-methylbutyl)amino]-, diphosphate (6CI)
EC Number	200-055-2
IUPAC Name	4-N-(7-chloroquinolin-4-yl)-1-N,1-N-diethylpentane-1,4-diamine;phosphoric acid
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)
InChI Key	QKICWELGRMTQCR-UHFFFAOYSA-N
MDL Number	MFCD00069852
Molecular Formula	C18H30ClN3O7P2
Molecular Weight	497.8472
RTECS Number	VB2450000
SMILES	OP(O)(=O)OP(=O)(O)O.ClC1=CC=C2C(=CC=NC2=C1)NC(CCCN(CC)CC)C
Synonyms	arechin, chingamin phosphate, chloroquine bis(dihydrogenphosphate) dihydrate, chloroquine diphosphate, chloroquine diphosphate, (+)-isomer, chloroquine diphosphate, (+-)-isomer, chloroquine diphosphate, (-)-isomer, chloroquine phosphate, delagil, khingamin phosphate, Resochin, unspecified phosphate of chloroquine diphosphate, Chloroquine diphosphate, Chloroquine phosphate, 50-63-5, Aralen phosphate, Arechin, Delagil, Chloroquine bis(phosphate), Chingaminum, Alermine, Chingamin phosphate, H-Stadur, Aralen diphosphate, Khingamin, Miniquine, Tanakan, Tanakene, Chlorochin diphosphate, Chloroquin diphosphate, Tanakan (antimalarial), Gontochin phosphate, dl-Chloroquine diphosphate, Chloroquine diphosphate salt, NSC 14050, Ipsen 225, CCRIS 1554, Chloroquine (diphosphate), EINECS 200-055-2, 3377 RP, WR 1522, Chloroquine dihydrogen phosphate (1:2), SN 7,618, 1,4-Pentanediamine, N4-(7-chloro-4-quinolinyl)-N1,N1-diethyl-, phosphate (1:2), AI3-14952, SN 7618, N4-(7-chloroquinolin-4-yl)-N1,N1-diethylpentane-1,4-diamine bis(phosphate), MFCD00069852, 7-Chlor-4-(4-(diaethylamino)-1-methylbutylamino)-chinolindiphosphat [German], 7-Chloro-4-((4-(diethylamino)-1-methylbutyl)amino)quinoline phosphate (1:2), N4-(7-Chloro-4-quinolinyl)-N1,N1-dimethyl-1,4-pentanediamine diphosphate salt, Quinoline, 7-chloro-4-(4-diethylamino-1-methyl-butylamino)-, diphosphate, DSSTox_CID_24681, DSSTox_RID_80393, N(4)-(7-Chloro-4-quinolinyl)-N(1),N(1)-diethyl-1,4-pentanediamine, phosphate (1:2), DSSTox_GSID_44681, Chloroquine diphosphate salt, 98%, C18H26ClN3, N4-(7-chloro-4-quinolyl)-N1,N1-diethyl-pentane-1,4-diamine; phosphoric acid, khingamin phosphate, 1,4-Pentanediamine, N(sup 4)-(7-chloro-4-quinolinyl)-N(sup 1),N(sup 1)-diethyl-, phosphate (1:2), SR-01000075548, 4-N-(7-chloroquinolin-4-yl)-1-N,1-N-diethylpentane-1,4-diamine;phosphoric acid, Chloroquine phosphate [USP:BAN], Chloroquindiphosphat, Chloroquine phosphate [USAN:BAN], Prestwick_867, Aralen (TN), Chloroquinediphosphate, Chloroquine diphosphat-, 4-N-(7-chloroquinolin-4-yl)-1-N,1-N-diethylpentane-1,4-diamine; phosphoric acid, AC1Q6RTA, CAS-50-63-5, chloroquine bis(dihydrogenphosphate) dihydrate, NCGC00015256-01, unspecified phosphate of chloroquine diphosphate, Chloroquine diphosphate,(S), 1,4-diamine bis(phosphate), Chloroquine phosphate (USP), SCHEMBL40827, CHEMBL58510, SPECTRUM1500179, AC1L228G, Chloroquine Diphosphate, Sulfate, DTXSID7044681, CTK8B4126, HMS501E06, KS-00000RXN, HMS1569N17, HMS1920O05, HMS2091C16, HMS2096N17, HMS3260L14, HMS3713N17, Tox21_110115, Tox21_202838, Tox21_500296, 7-Chlor-4-(4-(diaethylamino)-1-methylbutylamino)-chinolindiphosphat, ANW-43957, CCG-39643, AKOS004910410, Tox21_110115_1, CS-3811, LP00296, MCULE-4724842928, NE31607, 1,4-Pentanediamine, N4-(7-chloro-4-quinolinyl)-N',N'-diethyl-, (+-)-, phosphate (1:2), NCGC00015256-12, NCGC00093746-01, NCGC00093746-02, NCGC00093746-03, NCGC00260384-01, NCGC00260981-01, AC-12463, AK142896, AN-24378, BC204679, HY-17589, LS-141727, Chloroquine diphosphate salt, solid, >=98%, EU-0100296, FT-0602804, C 6628, D02125, 069C852, N4-(7-chloroquinolin-4-yl)-N1,N1-diethylpentane-, SR-01000075548-1, SR-01000075548-3, SR-01000075548-5, F2173-1139, 7-Chloro-4-[[4-(diethylamino)-1-methylbutyl]amino]quinoline phosphate, 7-Chloro-4-[4-(diethylamino)-1-methylbutylamino]quinoline Diphosphate, bis(phosphoric acid); {4-[(7-chloroquinolin-4-yl)amino]pentyl}diethylamine, Chloroquine phosphate, United States Pharmacopeia (USP) Reference Standard, N4-(7-Chloro-4-quinolyl)-N1,N1-diethyl-1,4-pentanediamine Diphosphate, 7-CHLORO-N-[5-(DIETHYLAMINO)PENTAN-2-YL]QUINOLIN-4-AMINE; BIS(PHOSPHORIC ACID), Chloroquine phosphate, Pharmaceutical Secondary Standard; Certified Reference Material, Quinoline, 7-chloro-4-((4-(diethylamino)-1-methylbutyl)amino)-, phosphate (1:2), Quinoline, 7-chloro-4-((4-(diethylamino)-1-methylbutyl)amino)-, phosphate (1:2) (8CI), Resochin, Bemaphate, Chingamin, Quingamine, Resoquine, Avloclor, Sanoquin, Aralen, Nivaquine B, Alexoquine, Cidoquine, Imagon, Cloroquina fosfato, chloroquinbis(phosphat), UNII-6E17K3343P, (+-)-Chloroquine diphosphate, C18H26ClN3.2H3O4P, RP 3377, CID64927, chloroquine diphosphate, (+)-isomer, chloroquine diphosphate, (-)-isomer, RW2763, chloroquine diphosphate, (+-)-isomer, 6E17K3343P, ACN-048722, CS-O-06225, Chloroquine diphosphate salt, 98% 25g, C18-H26-Cl-N3.2H3-O4-P, C2301, ARALEN PHOSPHATE W/ PRIMAQUINE PHOSPHATE, C023676, 54-05-7, 7-Chloro-4-[(4''''-diethylamino-1-methylbutyl)amino]quinoline diphosphate, 7-Chloro-4-[(4'-diethylamino-1-methylbutyl)amino]quinoline diphosphate, 1,4-pentanediamine, N(4)-(7-chloro-4-quinolinyl)-N(1),N(1)-diethyl-, phosphate (1:2), 1,4-Pentanediamine, N(4)-(7-chloro-4-quinolinyl)-N(1)-,N(1)-diethyl-, phosphate (1:2), 1,4-Pentanediamino, N4-(7-cloro-4-quinolinil)-N1, N1-dietil-, fosfato (1:2), Quinoline 7-chloro-4-[(4-diethylamino-1-methylbutyl)amino]-diphosphate (6CI), Quinoline 7-chloro-4-[[4-(diethylamino)-1-methylbutyl]amino]-phosphate (1:2) (8CI), 69698-56-2,

Complexity	359
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	3
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	515.135g/mol
Formal Charge	0
Heavy Atom Count	32
Hydrogen Bond Acceptor Count	11
Hydrogen Bond Donor Count	7
Isotope Atom Count	0
Molecular Weight	515.865g/mol
Monoisotopic Mass	515.135g/mol
Rotatable Bond Count	8
Topological Polar Surface Area	184A^2
Undefined Atom Stereocenter Count	1
Undefined Bond Stereocenter Count	0

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302
Packing Group
Precautionary statements	P280-P305+P351+P338
UN Code	\N

Certificate of Analysis

Lot Number