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| CAS Number | 54-05-7 |
| Catalog Number | AG00DDVD(AGN-PC-088NJO) |
| Chemical Name | Chloroquine |
| EC Number | 200-191-2 |
| IUPAC Name | 4-N-(7-chloroquinolin-4-yl)-1-N,1-N-diethylpentane-1,4-diamine |
| InChI | InChI=1S/C18H26ClN3/c1-4-22(5-2)12-6-7-14(3)21-17-10-11-20-18-13-15(19)8-9-16(17)18/h8-11,13-14H,4-7,12H2,1-3H3,(H,20,21) |
| InChI Key | WHTVZRBIWZFKQO-UHFFFAOYSA-N |
| MDL Number | MFCD00024009 |
| Molecular Formula | C18H26ClN3 |
| Molecular Weight | 319.8721 |
| NSC Number | 187208 |
| SMILES | CC(NC1=CC=NC2=CC(Cl)=CC=C12)CCCN(CC)CC |
| Synonyms | Aralen,
Arechine,
Arequin,
Chingamin,
Chlorochin,
Chloroquine,
Chloroquine Sulfate,
Chloroquine Sulphate,
Khingamin,
Nivaquine,
Sulfate, Chloroquine,
Sulphate, Chloroquine,
chloroquine,
Aralen,
54-05-7,
Chlorochin,
Chloraquine,
Artrichin,
Chloroquinium,
Chloroquina,
Reumachlor,
Capquin,
Chemochin,
Chlorquin,
Clorochina,
Malaquin,
Arthrochin,
Bemasulph,
Benaquin,
Bipiquin,
Chingamin,
Cidanchin,
Cocartrit,
Dichinalex,
Gontochin,
Heliopar,
Iroquine,
Klorokin,
Lapaquin,
Mesylith,
Pfizerquine,
Quinachlor,
Quinercyl,
Quinilon,
Quinoscan,
Sanoquin,
Silbesan,
Solprina,
Sopaquin,
Tresochin,
Amokin,
Bemaco,
Elestol,
Imagon,
Malaren,
Malarex,
Neochin,
Roquine,
Siragan,
Trochin,
Nivaquine B,
Bemaphate,
Chloroquinum,
Cloroquina,
Resoquine,
Nivaquine,
Chlorochine,
Quingamine,
Avloclor,
Resochin,
Ronaquine,
Khingamin,
Chlorochinum,
Avlochlor,
Nivachine,
Quinagamin,
Quinagamine,
Resochen,
Resoquina,
Reumaquin,
Arechin,
Delagil,
Tanakan,
Chloroquine (VAN),
Clorochina [DCIT],
WIN 244,
N4-(7-chloroquinolin-4-yl)-N1,N1-diethylpentane-1,4-diamine,
1,4-Pentanediamine, N4-(7-chloro-4-quinolinyl)-N1,N1-diethyl-,
ST 21 (pharmaceutical),
Chloroquinum [INN-Latin],
Cloroquina [INN-Spanish],
RP 3377,
3377 RP opalate,
W 7618,
ST 21,
Chloroin,
Miniquine,
Rivoquine,
Tanakene,
Arolen,
7-Chloro-4-((4-(diethylamino)-1-methylbutyl)amino)quinoline,
CCRIS 3439,
CHEBI:3638,
N4-(7-Chloro-4-quinolinyl)-N1,N1-diethyl-1,4-pentanediamine,
Aralen HCl,
HSDB 3029,
(-)-Chloroquine,
Gontochin phosphate,
CHEMBL76,
EINECS 200-191-2,
NSC 187208,
SN 6718,
BRN 0482809,
Ipsen 225,
(R)-(-)-Chloroquine,
WHTVZRBIWZFKQO-UHFFFAOYSA-N,
C18H26ClN3,
N(sup 4)-(7-Chloro-4-quinolinyl)-N(sup 1),N(sup 1)-diethyl-1,4-pentanediamine,
NSC187208,
{4-[(7-chloroquinolin-4-yl)amino]pentyl}diethylamine,
NSC-187208,
7-Chloro-4-[[4-(diethylamino)-1-methylbutyl]amino]quinoline,
AK116457,
Arechine,
Arequin,
Quinoline, 7-chloro-4-((4-(diethylamino)-1-methylbutyl)amino)-,
1,4-Pentanediamine, N(4)-(7-chloro-4-quinolinyl)-N(1),N(1)-diethyl-,
1,4-Pentanediamine, N4-(7-chloro-4-quinolinyl)-N1,N1-diethyl-, (+)-,
SN 7618,
1,4-Pentanediamine, N(sup 4)-(7-chloro-4-quinolinyl)-N(sup 1),N(sup 1)-diethyl-,
58175-86-3,
CQ,
Chloroquin,
Quinoline, 7-chloro-4-[[4-(diethylamino)-1-methylbutyl]amino]-,
N(4)-(7-chloro-4-quinolinyl)-N(1),N(1)-diethyl-1,4-pentanediamine,
Chloroquine, D-,
( -)-Chloroquine,
(+-)-Chloroquine,
Chloroquine [USAN:INN:BAN],
NSC14050,
UNII-WE58C2WV1T,
WE58C2WV1T,
Chloroquine (USP/INN),
UNII-34P96M7C4K,
{4-[(7-chloro(4-quinolyl))amino]pentyl}diethylamine,
Malaquin (*Diphosphate*),
Cloroquine,
34P96M7C4K,
Chloroquine [USP:INN:BAN],
Chloroquine Bis-Phosphoric Acid,
Chloroquine, 17,
Arechin (Salt/Mix),
Delagil (Salt/Mix),
Tanakan (Salt/Mix),
Chloroquine, (R)-,
Chloroquine, (S)-,
RP-3377,
SN-7618,
Ro 01-6014/N2,
Bemaphate (Salt/Mix),
Resoquine (Salt/Mix),
Spectrum_000132,
Chloroquine + Proveblue,
Prestwick0_000548,
Prestwick1_000548,
Prestwick2_000548,
Prestwick3_000548,
Spectrum2_000127,
Spectrum3_000341,
Spectrum4_000279,
Spectrum5_000707,
(.+/-.)-Chloroquine,
Epitope ID:131785,
MolMap_000009,
AC1L1EB8,
AC1Q2ZA7,
AC1Q2ZA8,
SCHEMBL8933,
Lopac0_000296,
BSPBio_000595,
BSPBio_002001,
KBioGR_000778,
KBioSS_000592,
DivK1c_000404,
CU-01000012392-2,
SPBio_000174,
SPBio_002516,
GNF-Pf-4216,
BPBio1_000655,
GTPL5535,
1,4-Pentanediamine, N4-(7-chloro-4-quinolinyl)-N1,N1-diethyl-, (4R)-,
DTXSID2040446,
BDBM22985,
CTK1H1520,
KBio1_000404,
KBio2_000592,
KBio2_003160,
KBio2_005728,
KBio3_001221,
NINDS_000404,
HMS2090O03,
ALBB-025694,
ZX-AN024208,
(+)-N4-(7-Chloro-4-quinolinyl)-N1,N1-diethyl-1,4-pentanediamine,
MFCD00024009,
SBB072644,
AKOS015935106,
CCG-204391,
CS-W004760,
DB00608,
HCH0027872,
KH-0005,
MCULE-3610827164,
IDI1_000404,
KS-00000F97,
SMP2_000034,
NCGC00015256-02,
NCGC00015256-03,
NCGC00015256-04,
NCGC00015256-05,
NCGC00015256-06,
NCGC00015256-07,
NCGC00015256-08,
NCGC00015256-09,
NCGC00015256-10,
NCGC00015256-13,
NCGC00015256-17,
NCGC00162120-01,
BC208405,
NCI60_000894,
SC-48578,
WLN: T66 BNJ EMY1&3N2&2 IG,
SBI-0050284.P004,
AX8105532,
LS-141726,
ST2401962,
4CH-019706,
AB00053436,
FT-0623612,
ST45028748,
C07625,
D02366,
EN300-120683,
MLS-0466768.0001,
AB00053436-05,
AB00053436_06,
AB00053436_07,
1, N4-(7-chloro-4-quinolinyl)-N1,N1-diethyl-,
BRD-A91699651-065-01-1,
BRD-A91699651-316-06-7,
n(sup4)-(7-chloro-4-quinolinyl)-n(sup1),4-pentanediamine,
N'-(7-chloroquinolin-4-yl)-N,N-diethylpentane-1,4-diamine,
N4-(7-chloro-4-quinolyl)-N1,N1-diethyl-pentane-1,4-diamine,
Quinoline, 7-chloro-4-(4-diethylamino-1-methyl-butylamino)-,
4-N-(7-chloroquinolin-4-yl)-1-N,1-N-diethylpentane-1,4-diamine,
1,4-Pentanediamine, N4-(7-chloro-4-quinolinyl)-N1,N1-diethyl-, (-)-,
1,4-Pentanediamine, N4-(7-chloro-4-quinolinyl)-N1,N1-diethyl-, (R)-,
N(4)-(7-chloroquinolin-4-yl)-N(1),N(1)-diethylpentane-1,4-diamine,
1,4-pentanediamine, N~4~-(7-chloro-4-quinolinyl)-N~1~,N~1~-diethyl-, phosphate (1:2),
N(sup4)-(7-chloro-4-quinolinyl)-N(sup1),N(sup1)-diethyl-1,4-pentanediamine,
Chloroquine phosphate,
(+)-Chloroquine,
Chloroquine sulfate,
Plaquenil,
Chloroquine sulphate,
chloroquin-,
Chloroquine diphosphate,
Chloroquine HCl,
( )-Chloroquine,
Dawaquin (TN),
Resochin (TN),
Sulfate, Chloroquine,
Chloroquine hydrochloride,
Sulphate, Chloroquine,
Chloroquine FNA (TN),
UNII-886U3H6UFF,
D09EGZ,
Chloroquine [USAN:BAN:INN],
886U3H6UFF,
HYDROXYCHLOROQUINE SULFATE,
C18-H26-Cl-N3,
CID2719,
3377 RP,
ACN-029973,
N(C(C)CCCN(CC)CC)c1ccnc2cc(Cl)ccc12,
D002738,
7-chloro-4-(4-diethylamino-1-methylbutylamino)quinoline,
(+-)-N4-(7-Chloro-4-quinolinyl)-N1,N1-diethyl-1,4-pentanediamine,
1,4-Pentanediamine, N(4)-(7-chloro-4-quinolinyl)-N(1)-,N(1)-diethyl-,
1,4-Pentanediamine, N4-(7-chloro-4-quinolinyl)-N1,N1-diethyl-, (+-)-,
58175-87-4,
50-63-5,
56598-66-4,
|
| Complexity | 309 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 319.182g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 22 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 319.877g/mol |
| Monoisotopic Mass | 319.182g/mol |
| Rotatable Bond Count | 8 |
| Topological Polar Surface Area | 28.2A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4.6 |
| Symbol: | |
| Hazard Class | |
| Hazard statements | H302-H315-H319-H332-H335 |
| Packing Group | |
| Precautionary statements | P280-P305+P351+P338-P310 |
| UN Code |
| Chemical Name: | Batch Number: | |
| Chemical Structure: | CAS Registry No: | |
| Product ID: | ||
| Manufacture Date: | ||
| Storage Temperature: | ||
| Formula: | ||
| Molecular Weight: | ||
| Quantity: |
| Test: | Result: |

