AG002IQ5

206873-63-4 | 3-Quinolinecarboxamide, N-[2-[[[4-[2-(3,4-dihydro-6,7-dimethoxy-2(1H)-isoquinolinyl)ethyl]phenyl]amino]carbonyl]-4,5-dimethoxyphenyl]-

AG002IQ5

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CAS Number	206873-63-4
Catalog Number	AG002IQ5(AGN-PC-0QWAGE)
Chemical Name	3-Quinolinecarboxamide, N-[2-[[[4-[2-(3,4-dihydro-6,7-dimethoxy-2(1H)-isoquinolinyl)ethyl]phenyl]amino]carbonyl]-4,5-dimethoxyphenyl]-
IUPAC Name	N-[2-[[4-[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)ethyl]phenyl]carbamoyl]-4,5-dimethoxyphenyl]quinoline-3-carboxamide
InChI	InChI=1S/C38H38N4O6/c1-45-33-18-25-14-16-42(23-28(25)19-34(33)46-2)15-13-24-9-11-29(12-10-24)40-38(44)30-20-35(47-3)36(48-4)21-32(30)41-37(43)27-17-26-7-5-6-8-31(26)39-22-27/h5-12,17-22H,13-16,23H2,1-4H3,(H,40,44)(H,41,43)
InChI Key	LGGHDPFKSSRQNS-UHFFFAOYSA-N
MDL Number	MFCD09837824
Molecular Formula	C38H38N4O6
Molecular Weight	646.7315
SMILES	COC=1C=C2CCN(CC2=CC1OC)CCC1=CC=C(C=C1)NC(=O)C1=C(C=C(C(=C1)OC)OC)NC(=O)C=1C=NC2=CC=CC=C2C1
UNII	J58862DTVD
Synonyms	tariquidar, tariquidarth, XR 9576, XR9576, Tariquidar, 206873-63-4, XR9576, XR 9576, UNII-J58862DTVD, N-(2-((4-(2-(6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl)ethyl)phenyl)carbamoyl)-4,5-dimethoxyphenyl)quinoline-3-carboxamide, N-[2-[[4-[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)ethyl]phenyl]carbamoyl]-4,5-dimethoxyphenyl]quinoline-3-carboxamide, XR-9576, CHEMBL348475, J58862DTVD, AK110701, 3-Quinolinecarboxamide, N-(2-(((4-(2-(3,4-dihydro-6,7-dimethoxy-2(1H)-isoquinolinyl)ethyl)phenyl)amino)carbonyl)-4,5-dimethoxyphenyl)-, N-(2-(4-(2-(6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl)ethyl)phenylcarbamoyl)-4,5-dimethoxyphenyl)quinoline-3-carboxamide, Tariquidar (USAN/INN), Tariquidar [USAN:INN:BAN], C38H38N4O6, 3-QUINOLINECARBOXAMIDE, N-[2-[[[4-[2-(3,4-DIHYDRO-6,7-DIMETHOXY-2(1H)-ISOQUINOLINYL)ETHYL]PHENYL]AMINO]CARBONYL]-4,5-DIMETHOXYPHENYL]-, Tariquidar (XR9576), AC1L3WN5, MLS006011218, SCHEMBL104163, Tariquidar, >=98% (HPLC), DTXSID10174746, EX-A231, QCR-212, HMS3653L21, AOB87165, BCP06102, ZINC4214704, BDBM50075373, MFCD09837824, s8028, AKOS016008964, AN-1493, CS-0722, PB29709, VA11819, KS-0000003W, NCGC00346448-01, NCGC00346448-06, 4CA-1211, BC282768, DA-08376, HY-10550, SC-50718, SMR004702980, AB0035964, FT-0700261, ST24049327, SW219804-1, Y0469, D06008, Q-4385, 873T634, J-013523, 1N-{4-[2-(6,7-dimethoxy-1,2,3,4-tetrahydro-2-isoquinolinyl)ethyl]phenyl}-4,5-dimethoxy-2-(3-quinolylcarboxamido)benzamide, 3-Quinolinecarboxamide,N-(2-(((4-(2-(3,4-dihydro-6,7-dimethoxy-2(1H)-isoquinolinyl)ethyl)phenyl)amino)carbonyl)-4,5-dimethoxyphenyl)-, N-[2-[[4-[2-(6,7-DIMETHOXY-3,4-DIHYDRO-1H-ISOQUINOLIN-2-YL)ETHYL]PHENYL]CARBAMOYL]-4,5-DIMETHOXY-PHENYL]QUINOLINE-3-CARBOXAMIDE, tariquidarth, Tariquidar[USAN], Tariquidar [USAN], D04RLX, UNII-U2JL9545E1, CID148201, C38-H38-N4-O6, A8208, A11584, C402343,

Complexity	1040
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	646.279g/mol
Formal Charge	0
Heavy Atom Count	48
Hydrogen Bond Acceptor Count	8
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	646.744g/mol
Monoisotopic Mass	646.279g/mol
Rotatable Bond Count	11
Topological Polar Surface Area	111A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	6.1

GHS Hazard and Precautionary Statements

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

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