AG0036KV

82186-77-4 | 2-(dibutylamino)-1-[(9Z)-2,7-dichloro-9-[(4-chlorophenyl)methylidene]-9H-fluoren-4-yl]ethan-1-ol

AG0036KV

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CAS Number	82186-77-4
Catalog Number	AG0036KV(AGN-PC-0ULM1M)
Chemical Name	2-(dibutylamino)-1-[(9Z)-2,7-dichloro-9-[(4-chlorophenyl)methylidene]-9H-fluoren-4-yl]ethan-1-ol
EC Number	617-303-4
IUPAC Name	2-(dibutylamino)-1-[(9Z)-2,7-dichloro-9-[(4-chlorophenyl)methylidene]fluoren-4-yl]ethanol
InChI	InChI=1S/C30H32Cl3NO/c1-3-5-13-34(14-6-4-2)19-29(35)28-18-23(33)17-27-25(15-20-7-9-21(31)10-8-20)26-16-22(32)11-12-24(26)30(27)28/h7-12,15-18,29,35H,3-6,13-14,19H2,1-2H3/b25-15-
InChI Key	DYLGFOYVTXJFJP-MYYYXRDXSA-N
MDL Number	MFCD05662268
Molecular Formula	C30H32Cl3NO
Molecular Weight	528.9402
SMILES	ClC1=CC=2C(C3=CC(=CC=C3C2C(=C1)C(O)CN(CCCC)CCCC)Cl)=C/C1=CC=C(C=C1)Cl
Synonyms	benflumetol, benflumetol, (+)-isomer, benflumetol, (+-)-isomer, benflumetol, (-)-isomer, lumefantrine, Lumefantrine, Benflumetol, 82186-77-4, dl-Benflumelol, C30H32Cl3NO, HSDB 7210, (Z)-2-(Dibutylamino)-1-(2,7-dichloro-9-(4-chlorobenzylidene)-9H-fluoren-4-yl)ethanol, UNII-ZUV4B00D9P, UNII-01NP22J3SV, ZUV4B00D9P, (+-)-2,7-Dichloro-9-((Z)-p-chlorobenzylidene)-alpha-((dibutylamino)methyl)fluorene-4-methanol, 01NP22J3SV, CHEBI:156095, MFCD05662268, 2-(dibutylamino)-1-[(9Z)-2,7-dichloro-9-[(4-chlorophenyl)methylidene]fluoren-4-yl]ethanol, NCGC00167490-01, (+-)-2,7-Dichloro-9-((Z)-p-chlorobenzylidene)-alpha((dibutylamino)methyl)fluorene-4-methanol, 2-(dibutylamino)-1-[(9Z)-2,7-dichloro-9-(4-chlorobenzylidene)-9H-fluoren-4-yl]ethanol, 2-Dibutylamino-1-[2,7-dichloro-9-(4-chloro-benzylidene)-9H-fluoren-4-yl]-ethanol, DSSTox_CID_26663, DSSTox_RID_81805, DSSTox_GSID_46663, 2-Dibutylamino-1-{2,7-dichloro-9-[1-(4-chloro-phenyl)-meth-(Z)-ylidene]-9H-fluoren-4-yl}-ethanol, 9H-Fluorene-4-methanol, 2,7-dichloro-9-((4-chlorophenyl)methylene)-alpha-((dibutylamino)methyl)-, (Z)-, Lumefantrine [INN:BAN], 2-(dibutylamino)-1-[(9Z)-2,7-dichloro-9-[(4-chlorophenyl)methylene]fluoren-4-yl]ethanol, 2-(dibutylamino)-1-[(9Z)-2,7-dichloro-9-[(4-chlorophenyl)methylidene]-9H-fluoren-4-yl]ethan-1-ol, CAS-82186-77-4, GNF-Pf-1971, Lumefruntrine, D-Benflumelol, L-Benflumelol, Lumefantrine [USAN:INN:BAN], AK-72921, Lumefantrine, (+)-, Lumefantrine, (-)-, AC1O5NKD, MLS003899226, CHEMBL38827, SCHEMBL127331, GTPL9969, Lumefantrine (JAN/USAN/INN), DTXSID3046663, HMS3260F22, HY-B0803, Tox21_112491, Tox21_500270, BBL030364, CPG-56695, STL373579, AKOS015918181, Tox21_112491_1, AC-4542, AN-5496, CCG-221574, CS-5130, DB06708, HS-0098, RL05134, NCGC00167490-03, NCGC00260955-01, (9Z)-2,7-Dichloro-9-[(4-chlorophenyl)methylene]-alpha-[(dibutylamino)methyl]-9H-fluorene-4-methanol, BC682501, BR-72921, SC-19326, SMR002543514, AB0068957, AX8115323, LS-177674, TR-037912, L0256, ST24026688, J3.642.651I, D03821, S-4170, 186L774, A840269, I14-7746, Lumefantrine, United States Pharmacopeia (USP) Reference Standard, (Z)-2-(dibutylamino)-1-(2,7-dichloro-9-(4-chlorobenzylidene)-9H-fluoren-4-yl)ethan-1-ol, 2-(dibutylamino)-1-[(9Z)-2,7-dichloro-9-[(4-chlorophenyl)methylidene]-4-fluorenyl]ethanol, 2-(Dibutylamino)-1-[(Z)-2,7-dichloro-9-(4-chlorobenzylidene)-9H-fluorene-4-yl]ethanol, (+/-)-2,7-Dichloro-9-((Z)-p-chlorobenzylidene)-alpha-((dibutylamino)methyl)fluorene-4-methanol, (1rs)-2-(dibutylamino)-1-[(z)-2,7-dichloro-9-(4-chlorobenzylidene)-9h-fluoren-4-yl]ethanol, (9Z)-2,7-Dichloro-9-[(4-chlorophenyl)methylene]-?-[(dibutylamino)methyl]-9H-fluorene-4-methanol, (9Z)-2,7-Dichloro-9-[(4-chlorophenyl)methylene]-alpha-[(dibutylamino)methyl]-9H-fluoren-4-methanol, (z)-2,7-dichloro-9-((4-chlorophenyl)methylene)-alpha-((dibutylamino)methyl)-9h-fluorene-4-methanol, 1-[(9Z)-2,7-bis(chloranyl)-9-[(4-chlorophenyl)methylidene]fluoren-4-yl]-2-(dibutylamino)ethanol, 120583-70-2, 120583-71-3, 9H-Fluorene-4-methanol, 2,7-dichloro-9-((4-chlorophenyl)methylene)-alpha-((dibutylamino)methyl)-, (9Z)-(+)-, 9H-Fluorene-4-methanol, 2,7-dichloro-9-((4-chlorophenyl)methylene)-alpha-((dibutylamino)methyl)-, (9Z)-(-)-, 9H-Fluorene-4-methanol, 2,7-dichloro-9-((4-chlorophenyl)methylene)-alpha-((dibutylamino)methyl)-, (Z)-(+)-, 9H-Fluorene-4-methanol, 2,7-dichloro-9-((4-chlorophenyl)methylene)-alpha-((dibutylamino)methyl)-, (Z)-(-)-, Coartem, benflumelol, Mixture Name, Lumefantrine (INN), benflumetol, (+)-isomer, benflumetol, (-)-isomer, D06MQM, benflumetol, (+-)-isomer, UNII-F38R0JR742, C30-H32-Cl3-N-O, F38R0JR742, ACN-048710, CID6437380, CS-O-01745, C102070, D000078102, Lumefantrine, 98%, Inhibits hemozoin formation. Antimalarial. - 25G 25g, 2-(Dibutylamino)-1-(2,7-dichloro-9-(4-chlorobenzylidene)-9H-fluoren-4-yl)ethanol, 2-dibutylamino-1-[2,7-dichloro-9-(4-chlorobenzylidene)-9,11-fluoren-4-yl]ethanol, (z)-2,7-dichloro-9-[(4-chlorophenyl)methylene]-alpha-[(dibutylamino)methyl]-9h-fluorene-4-methanol,

Complexity	671
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	1
Exact Mass	527.155g/mol
Formal Charge	0
Heavy Atom Count	35
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	528.942g/mol
Monoisotopic Mass	527.155g/mol
Rotatable Bond Count	10
Topological Polar Surface Area	23.5A^2
Undefined Atom Stereocenter Count	1
Undefined Bond Stereocenter Count	0
XLogP3	8.7

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

Lot Number