AG003JXJ

6398-98-7 | 4-[(7-chloroquinolin-4-yl)amino]-2-[(diethylamino)methyl]phenol dihydrate dihydrochloride

AG003JXJ

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CAS Number	6398-98-7
Catalog Number	AG003JXJ(AGN-PC-0TAVFL)
Chemical Name	4-[(7-chloroquinolin-4-yl)amino]-2-[(diethylamino)methyl]phenol dihydrate dihydrochloride
EC Number	200-706-0
IUPAC Name	4-[(7-chloroquinolin-4-yl)amino]-2-(diethylaminomethyl)phenol;dihydrate;dihydrochloride
InChI	InChI=1S/C20H22ClN3O.2ClH.2H2O/c1-3-24(4-2)13-14-11-16(6-8-20(14)25)23-18-9-10-22-19-12-15(21)5-7-17(18)19;;;;/h5-12,25H,3-4,13H2,1-2H3,(H,22,23);2*1H;2*1H2
InChI Key	YVNAYSHNIILOJS-UHFFFAOYSA-N
MDL Number	MFCD00078857
Molecular Formula	C20H28Cl3N3O3
Molecular Weight	464.8136
SMILES	OC1=CC=C(NC2=CC=NC3=CC(Cl)=CC=C23)C=C1CN(CC)CC.[H]Cl.[H]Cl.[H]O[H].[H]O[H]
UNII	K6PW2S574L
Synonyms	Amodiachin, Amodiaquin, Amodiaquine, Amodiaquine Hydrochloride, Camoquin, Camoquine, Flavoquine, Hydrochloride, Amodiaquine, 6398-98-7, Amodiaquin dihydrochloride dihydrate, Amodiaquine dihydrochloride dihydrate, Amodiaquine hydrochloride, Amodiaquine HCl, UNII-K6PW2S574L, Amodiaquin (dihydrochloride dihydrate), 4-((7-Chloroquinolin-4-yl)amino)-2-((diethylamino)methyl)phenol dihydrochloride dihydrate, K6PW2S574L, Amodiaquine hydrochloride [USP], NCGC00017063-01, AK164307, CAS-6398-98-7, Amodiaquine hydrochloride (USP), 4-(7-Chloro-4-quinolinylamino)-2-(diethylaminomethyl)phenol dihydrochloride dihydrate, CHEBI:50652, CAM-AQ 1, 4-[(7-chloroquinolin-4-yl)amino]-2-(diethylaminomethyl)phenol;dihydrate;dihydrochloride, Amodiaquin dihydrochlorid-2-wasser, Prestwick_677, SN 10751, Amodiaquin diHCl dihydrate, AC1L21NB, Camoquin hydrochloride (TN), DSSTox_CID_25568, DSSTox_RID_80965, DSSTox_GSID_45568, CHEMBL1357648, DTXSID3045568, CTK8F7747, KS-00000SRX, S4589 Amodiaquin (dihydrochlori, C20H22ClN3O.2HCl.2H2O, HMS1568N20, amodiaquine-dihydrochloride-dihydrate, HY-B1322, Tox21_110765, MFCD09260307, s4589, AKOS016339633, CCG-220309, CS-4895, KS-1326, KS-5250, TRA0068429, 4-((7-Chloro-4-quinolyl)amino)-alpha-(diethylamino)-o-cresol dihydrochloride dihydrate, NCGC00017063-02, NCGC00017063-03, FT-0740309, ST24042755, A16405, D02466, A834604, Z1563146060, 4-[(7-chloranylquinolin-4-yl)amino]-2-(diethylaminomethyl)phenol dihydrate dihydrochloride, 4-[(7-chloro-4-quinolinyl)amino]-2-(diethylaminomethyl)phenol dihydrate dihydrochloride, 4-[(7-chloroquinolin-4-yl)amino]-2-(diethylaminomethyl)phenol dihydrate dihydrochloride, 4-[(7-chloroquinolin-4-yl)amino]-2-[(diethylamino)methyl]phenol dihydrate dihydrochloride, o-Cresol, 4-((7-chloro-4-quinolyl)amino)-alpha-(diethylamino)-, dihydrochloride, dihydrate, Phenol, 4-((7-chloro-4-quinolinyl)amino)-2-((diethylamino)methyl)-, dihydrochloride, dihydrate, Flavoquine, Camoquin, Amoxicillin trihydrate, Amodiaquine hydrochloride [USAN], C20H22ClN3O.2ClH.2H2O, CID64646, ACN-048724, C20-H22-Cl-N3-O.2Cl-H.2H2-O, o-Cresol, 4-[(7-chloro-4-quinolyl)amino]-.alpha.-(diethylamino)-, dihydrochloride, dihydrate, Phenol, 4-[(7-chloro-4-quinolinyl)amino]-2-[(diethylamino)methyl]-, dihydrochloride, dihydrate,

Complexity	406
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	5
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	463.12g/mol
Formal Charge	0
Heavy Atom Count	29
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	6
Isotope Atom Count	0
Molecular Weight	464.812g/mol
Monoisotopic Mass	463.12g/mol
Rotatable Bond Count	6
Topological Polar Surface Area	50.4A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	6.1
Hazard statements	H302-H315-H319-H332-H335
Packing Group	Ⅲ
Precautionary statements	P261-P280-P305+P351+P338
UN Code	UN 2811

Certificate of Analysis

Lot Number