AG00389U

153559-49-0 | 4-[1-(5,6,7,8-Tetrahydro-3,5,5,8,8-pentamethyl-2-naphthalenyl)ethenyl]benzoic acid

AG00389U

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CAS Number	153559-49-0
Catalog Number	AG00389U(AGN-PC-0Q6L4T)
Chemical Name	4-[1-(5,6,7,8-Tetrahydro-3,5,5,8,8-pentamethyl-2-naphthalenyl)ethenyl]benzoic acid
IUPAC Name	4-[1-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)ethenyl]benzoic acid
InChI	InChI=1S/C24H28O2/c1-15-13-20-21(24(5,6)12-11-23(20,3)4)14-19(15)16(2)17-7-9-18(10-8-17)22(25)26/h7-10,13-14H,2,11-12H2,1,3-6H3,(H,25,26)
InChI Key	NAVMQTYZDKMPEU-UHFFFAOYSA-N
MDL Number	MFCD00932428
Molecular Formula	C24H28O2
Molecular Weight	348.4779
NSC Number	747528
SMILES	O=C(O)C1=CC=C(C(C2=C(C)C=C3C(C)(C)CCC(C)(C)C3=C2)=C)C=C1
UNII	A61RXM4375
Synonyms	3-methyl-TTNEB, 4-(1-(3,5,5,8,8-pentamethyl-5,6,7,8-tetrahydro-2-naphthyl)ethenyl)benzoic acid, bexarotene, LG69 compound, LGD 1069, LGD-1069, LGD1069, Targretin, Bexarotene, 153559-49-0, Targretin, Targrexin, Targretyn, LGD 1069, Targret, LGD1069, bexarotenum, Bexaroten, LG100069, LGD-1069, UNII-A61RXM4375, LG 1069, HSDB 7453, 166175-31-1, CHEMBL1023, p-(1-(5,6,7,8-Tetrahydro-3,5,5,8,8-pentamethyl-2-naphthyl)vinyl)benzoic acid, 4-[1-(3,5,5,8,8-pentamethyl-5,6,7,8-tetrahydronaphthalen-2-yl)ethenyl]benzoic acid, LG 100069, LG-100069, CHEBI:50859, A61RXM4375, 4-[1-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)ethenyl]benzoic acid, MFCD00932428, 4-(1-(3,5,5,8,8-pentamethyl-5,6,7,8-tetrahydronaphthalen-2-yl)vinyl)benzoic acid, 4-(1-(5,6,7,8-Tetrahydro-3,5,5,8,8-pentamethyl-2-naphthalenyl)ethenyl)benzoic acid, NCGC00181016-01, Ro 26-4455, AK-64115, SR 11247, 4-[1-(3,5,5,8,8-pentamethyl-5,6,7,8-tetrahydronaphthalen-2-yl)vinyl]benzoic acid, 4-[1-(5,6,7,8-tetrahydro-3,5,5,8,8-pentamethyl-2-naphthalenyl)ethenyl]benzoic acid, DSSTox_CID_20619, DSSTox_RID_79514, DSSTox_GSID_40619, Bexarotene [USAN], bexaroteno, 4-[1-(1,1,4,4,7-pentamethyltetralin-6-yl)vinyl]benzoic acid, Targretin-gel, 4-[1-(3,5,5,8,8-pentamethyl-5,6,7,8-tetrahydro-naphthalen-2-yl)-vinyl]-benzoic acid, 4-[1-(3,5,5,8,8-pentamethyl-5,6,7,8-tetrahydro-naphthalen-2-yl)-vinyl]benzoic acid, Benzoic acid, 4-(1-(5,6,7,8-tetrahydro-3,5,5,8,8-pentamethyl-2-naphthalenyl)ethenyl)-, Targretin (TN), CAS-153559-49-0, SR-05000001480, Bexarotene [USAN:INN:BAN], LG 69, LG1069, 4k6i, Bexarotene oral(targretin), AC1L32UG, SCHEMBL9025, BIDD:PXR0021, MLS006010146, Bexarotene (JAN/USAN/INN), GTPL2807, Bexarotene, >=98% (HPLC), DTXSID1040619, CTK8E7385, AOB1247, QCR-117, NAVMQTYZDKMPEU-UHFFFAOYSA-N, HMS2089L14, HMS3655D19, ACT03911, BCP04099, KS-00000NW6, ZINC1539579, Tox21_112666, Tox21_302407, AN-616, BDBM50032675, BG0619, DL-298, NSC747528, s2098, AKOS015902814, Tox21_112666_1, BCP9000396, CCG-221823, CS-0626, DB00307, MCULE-3783114634, NSC-747528, RL01964, RTX-011348, SB17341, SS-4628, 4-[1-3,5,5,8,8-pentamethyl-5,6,7,8-tetrahydro-2-naphthaleneyl)vinyl]benzene carboxylic acid, NCGC00181016-02, NCGC00181016-03, NCGC00181016-04, NCGC00181016-08, NCGC00255426-01, AC-24569, AJ-26838, AT-22934, HY-14171, LS-38306, SC-19638, SC-50515, SMR001614557, BCP0726000106, AB0009892, AB2000502, FT-0657110, FT-0702645, ST24046138, SW203810-3, D03106, W-5228, 42161-EP2295426A1, 42161-EP2295427A1, 42161-EP2298768A1, 42161-EP2308861A1, 42161-EP2311808A1, 42161-EP2311829A1, 42161-EP2311840A1, AB01275475-01, AB01275475_02, 559B490, A809441, I14-1941, J-009026, J-519847, SR-05000001480-1, SR-05000001480-2, BRD-K92441787-001-02-5, 4-[1-(3,5,5,8,8-pentamethyltetralin-2-yl)ethenyl]benzoic acid, 4-[1-(5,6,7,8-TETRAHYDRO-3,5,5,8,8-PENTAMETHYL-2-N, 4-[1-(3,5,5,8,8-Pentamethyl-2-5,8-dihydronaphthyl)vinyl]benzoic acid, 4-[1-(3,5,5,8,8-pentamethyl-5,6,7,8-tetrahydro-2-naphthyl)ethenyl]benzoic acid, 4-[1-(3,5,5,8,8-pentamethyl-5,6,7,8-tetrahydronaphthalen-2-yl)-vinyl]benzoic acid, 4-[1-(5,6,7,8,-Tetrahydro-3,5,5,8,8-pentamethyl-2-naphtalenyl)ethenyl]benzoic acid, 4-[1-(5,6,7,8-Tetrahydro-3,5,5,8,8-pentamethyl-2-naphthalenyl)-1-ethenyl]benzoic acid, Benzoic acid,6,7,8-tetrahydro-3,5,5,8,8-pentamethyl-2-naphthalenyl)ethenyl]-, p-[1-(5,6,7,8,-Tetrahydro-3,5,5,8,8-pentamethyl-2-naphthyl)vinyl]benzoic acid, null, Masoprocol, LG69 compound, 3-methyl-TTNEB, Elan brand of bexarotene, Bexarotene (USAN/INN), Ligand brand of bexarotene, D0N0RU, cc-197, C24H28O2, Bexarotene, 99% - 10mg 10mg, C18H22O4, CID82146, ACN-040170, C24-H28-O2, CS-O-11163, A8380, B4798, A11094, C095105, D000077610, 4-(1-(3,5,5,8,8-pentamethyl-5,6,7,8-tetrahydro-2-naphthyl)ethenyl)benzoic acid, 9RA, 27686-84-6, TRG,

Complexity	551
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	348.209g/mol
Formal Charge	0
Heavy Atom Count	26
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	348.486g/mol
Monoisotopic Mass	348.209g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	37.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	7.6

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