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Compound Summary

Chloroquine diphosphate

Compound Information

Chloroquine diphosphate

Compound Name:	Chloroquine diphosphate
Compound CID:	64927
Synonyms:	Chloroquine diphosphate Chloroquine phosphate 50-63-5 Aralen phosphate Chingamin phosphate More...
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;21-5(2,3)4/h8-11,13-14H,4-7,12H2,1-3H3,(H,20,21);2(H3,1,2,3,4)
InChIKey:	QKICWELGRMTQCR-UHFFFAOYSA-N
Canonical Smiles:	CCN(CC)CCCC(C)NC1=C2C=CC(=CC2=NC=C1)Cl.OP(=O)(O)O.OP(=O)(O)O
Isomeric Smiles:	CCN(CC)CCCC(C)NC1=C2C=CC(=CC2=NC=C1)Cl.OP(=O)(O)O.OP(=O)(O)O
Molecular Weight:	515.9
Molecular Formula:	C18H32ClN3O8P2

Compound Structure

2D Structure:

3D Structure:

Computed Properties

Chloroquine diphosphate

Molecular Weight:	515.9
Molecular Formula:	C18H32ClN3O8P2
Hydrogen Bond Donor Count:	7
Hydrogen Bond Acceptor Count:	11
Rotatable Bond Count:	8
Heavy Atom Count:	32
Complexity:	359

Synonyms

Chloroquine diphosphate

Chloroquine diphosphate	Chloroquine diphosphate
Chloroquine diphosphate	Chloroquine phosphate
50-63-5	Aralen phosphate
Chingamin phosphate	Chloroquine bis(phosphate)
Arechin	Delagil
Chloroquine diphosphate salt	Chloroquine (phosphate)
Khingamin	Miniquine
Tanakan	Tanakene
Aralen diphosphate	Gontochin phosphate
Chloroquin diphosphate	NSC 14050
Ipsen 225	N4-(7-chloroquinolin-4-yl)-N1,N1-diethylpentane-1,4-diamine bis(phosphate)
MFCD00069852	1,4-Pentanediamine, N4-(7-chloro-4-quinolinyl)-N1,N1-diethyl-, phosphate (1:2)
3377 RP	50-63-5 (DIPHOSPHATE)
SN 7,618	Chingaminum
Alermine	H-Stadur
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
DSSTox_GSID_44681	Chlorochin diphosphate
Tanakan (antimalarial)	4-N-(7-chloroquinolin-4-yl)-1-N,1-N-diethylpentane-1,4-diamine;phosphoric acid
dl-Chloroquine diphosphate	CCRIS 1554
NSC-14050	SN-7618
SR-01000075548	EINECS 200-055-2
WR 1522	Chloroquine dihydrogen phosphate (1:2)
Unikinon	AI3-14952
Chloroquine phosphate USP:BAN	Chloroquindiphosphat
Prestwick_867	Aralen (TN)
Chloroquine diphosphat-	CAS-50-63-5
NCGC00015256-01	7-Chlor-4-(4-(diaethylamino)-1-methylbutylamino)-chinolindiphosphat German
7-Chloro-4-((4-(diethylamino)-1-methylbutyl)amino)quinoline phosphate (1:2)	Chloroquine diphosphate,(S)
N(4)-(7-Chloro-4-quinolinyl)-N(1),N(1)-diethyl-1,4-pentanediamine, phosphate (1:2)	1,4-diamine bis(phosphate)
Chloroquine phosphate (USP)	SCHEMBL40827
CHEMBL58510	SPECTRUM1500179
Chloroquine Diphosphate, Sulfate	DTXSID7044681
HMS501E06	HMS1569N17
HMS1920O05	HMS2091C16
HMS2096N17	HMS3260L14
HMS3713N17	LW479
BCP31956	Tox21_110115
Tox21_202838	Tox21_500296
7-Chlor-4-(4-(diaethylamino)-1-methylbutylamino)-chinolindiphosphat	CCG-39643
s4157	AKOS004910410
N4-(7-chloro-4-quinolyl)-N1,N1-diethyl-pentane-1,4-diamine; phosphoric acid	Tox21_110115_1
CS-3811	DT-0015
LP00296	MCULE-4724842928
WR-1522	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
1,4-Pentanediamine, N(sup 4)-(7-chloro-4-quinolinyl)-N(sup 1),N(sup 1)-diethyl-, phosphate (1:2)	AC-12463
HY-17589	SY021941
DB-051808	Chloroquine diphosphate salt, solid, >=98%
EU-0100296	FT-0602804
C 6628	D02125
D70732	069C852
A828213	N4-(7-chloroquinolin-4-yl)-N1,N1-diethylpentane-
SR-01000075548-1	SR-01000075548-3
SR-01000075548-5	Q27264629
F2173-1139	7-Chloro-4-4-(diethylamino)-1-methylbutylaminoquinoline phosphate
7-Chloro-4-4-(diethylamino)-1-methylbutylaminoquinoline Bis(phosphate)	7-Chloro-4-4-(diethylamino)-1-methylbutylaminoquinoline Diphosphate
Chloroquine phosphate, United States Pharmacopeia (USP) Reference Standard	N4-(7-Chloro-4-quinolyl)-N1,N1-diethyl-1,4-pentanediamine Diphosphate
Chloroquine phosphate, Pharmaceutical Secondary Standard; Certified Reference Material	Quinoline, 7-chloro-4-((4-(diethylamino)-1-methylbutyl)amino)-, phosphate (1:2) (8CI)
Chloroquine phosphate;Aralen phosphate;7-chloro-4-((4 inverted exclamation mark -diethylamino-1-methylbutyl)amino)quinolinediphosphate

Experimental Data

Chloroquine diphosphate

Species	Dose	Unit	Control(Avg days)	Treatment(Avg days)	Avg/Med Lifespan Change(%)	Control(Max days)	Treatment(Max days)	Max Lifespan Change(%)	Significant	Strain	Gender	PubMed	Avg/Med Lifespan Change tab
Caenorhabditis elegans	33.000000000000000	umol/L			-2.000000000000000				NS	N2		24134630	Inactive

Experimental Data Visualization

Chloroquine diphosphate

Statistics Data

Chloroquine diphosphate

Species	Avg/Med Lifespan Change(%)	Max Lifespan Change(%)	Count Reference	Count Data point
Caenorhabditis elegans	-2.000000000000000		1	1

Statistics Data Visualization

Chloroquine diphosphate

Compound Name:

Chloroquine diphosphate

Compound CID:

64927

Synonyms:

Chloroquine diphosphate Chloroquine phosphate 50-63-5 Aralen phosphate Chingamin phosphate More...

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)

InChIKey:

QKICWELGRMTQCR-UHFFFAOYSA-N

Canonical Smiles:

CCN(CC)CCCC(C)NC1=C2C=CC(=CC2=NC=C1)Cl.OP(=O)(O)O.OP(=O)(O)O

Isomeric Smiles:

CCN(CC)CCCC(C)NC1=C2C=CC(=CC2=NC=C1)Cl.OP(=O)(O)O.OP(=O)(O)O

Molecular Weight:

515.9

Molecular Formula:

C18H32ClN3O8P2

Molecular Weight:

515.9

Molecular Formula:

C18H32ClN3O8P2

Hydrogen Bond Donor Count:

7

Hydrogen Bond Acceptor Count:

11

Rotatable Bond Count:

8

Heavy Atom Count:

32

Complexity:

359

Chloroquine diphosphate

Chloroquine phosphate

50-63-5

Aralen phosphate

Chingamin phosphate

Chloroquine bis(phosphate)

Arechin

Delagil

Chloroquine diphosphate salt

Chloroquine (phosphate)

Khingamin

Miniquine

Tanakan

Tanakene

Aralen diphosphate

Gontochin phosphate

Chloroquin diphosphate

NSC 14050

Ipsen 225

N4-(7-chloroquinolin-4-yl)-N1,N1-diethylpentane-1,4-diamine bis(phosphate)

MFCD00069852

1,4-Pentanediamine, N4-(7-chloro-4-quinolinyl)-N1,N1-diethyl-, phosphate (1:2)

3377 RP

50-63-5 (DIPHOSPHATE)

SN 7,618

Chingaminum

Alermine

H-Stadur

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

DSSTox_GSID_44681

Chlorochin diphosphate

Tanakan (antimalarial)

4-N-(7-chloroquinolin-4-yl)-1-N,1-N-diethylpentane-1,4-diamine;phosphoric acid

dl-Chloroquine diphosphate

CCRIS 1554

NSC-14050

SN-7618

SR-01000075548

EINECS 200-055-2

WR 1522

Chloroquine dihydrogen phosphate (1:2)

Unikinon

AI3-14952

Chloroquine diphosphate

Chloroquine phosphate

50-63-5

Aralen phosphate

Chingamin phosphate

More...

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;21-5(2,3)4/h8-11,13-14H,4-7,12H2,1-3H3,(H,20,21);2(H3,1,2,3,4)