AG0038IQ

94497-51-5 | 4-[(5,5,8,8-tetramethyl-5,6,7,8-tetrahydronaphthalen-2-yl)carbamoyl]benzoic acid

AG0038IQ

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CAS Number	94497-51-5
Catalog Number	AG0038IQ(AGN-PC-0W433T)
Chemical Name	4-[(5,5,8,8-tetramethyl-5,6,7,8-tetrahydronaphthalen-2-yl)carbamoyl]benzoic acid
IUPAC Name	4-[(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)carbamoyl]benzoic acid
InChI	InChI=1S/C22H25NO3/c1-21(2)11-12-22(3,4)18-13-16(9-10-17(18)21)23-19(24)14-5-7-15(8-6-14)20(25)26/h5-10,13H,11-12H2,1-4H3,(H,23,24)(H,25,26)
InChI Key	MUTNCGKQJGXKEM-UHFFFAOYSA-N
MDL Number	MFCD00866188
Molecular Formula	C22H25NO3
Molecular Weight	351.4388
NSC Number	608000
SMILES	O=C(c1ccc(cc1)C(=O)O)Nc1ccc2c(c1)C(C)(C)CCC2(C)C
UNII	08V52GZ3H9
Synonyms	4-((5,6,7,8-tetrahydro-5,5,8,8-tetramethyl-2-naphthalenyl)carbamoyl)benzoic acid, Am 80, AM-80, Am80, tamibarotene, Tamibarotene, 94497-51-5, Am 80, retinobenzoic acid, 4-((5,5,8,8-Tetramethyl-5,6,7,8-tetrahydronaphthalen-2-yl)carbamoyl)benzoic acid, Am80, Amnolake, AM-80, Tamibaro, Amnoid, 4-[(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)carbamoyl]benzoic acid, NSC 608000, UNII-08V52GZ3H9, 4-[(5,5,8,8-tetramethyl-5,6,7,8-tetrahydronaphthalen-2-yl)carbamoyl]benzoic acid, CHEMBL25202, CHEBI:32181, 08V52GZ3H9, MFCD00866188, NSC608000, 4-((5,6,7,8-Tetrahydro-5,5,8,8-tetramethyl-2-naphthalenyl)carbamoyl)benzoic acid, NSC-608000, NCGC00181111-01, AK-72889, Benzoic acid, 4-(((5,6,7,8-tetrahydro-5,5,8,8-tetramethyl-2-naphthalenyl)amino)carbonyl)-, DSSTox_CID_26853, DSSTox_RID_81962, DSSTox_GSID_46853, 4-[(1,1,4,4-tetramethyltetralin-6-yl)carbamoyl]benzoic acid, N-(5,6,7,8-Tetrahydro-5,5,8,8-tetramethyl-2-naphthyl)terephthalamic acid, SMR002530320, CAS-94497-51-5, Tamibarotene [INN], Amnoleuk, 2cbr, Amnoid (TN), Tamibarotene(Am-80), Tamibarotene (JAN/INN), SCHEMBL36207, TOS-80T, MLS003899239, MLS004774034, MLS006011150, AC1L33F5, EBD989, GTPL2648, INNO-507, TOS-80, DTXSID5046853, CTK8E9821, Tamibarotene, >=98% (HPLC), MUTNCGKQJGXKEM-UHFFFAOYSA-N, HMS3652H04, ZINC538415, BCP07492, OMS-0728, Tox21_112725, BDBM50061625, s4260, TM-411, AKOS015902693, N-(5,6,7,8-Tetrahydro-5,5,8,8-tetramethyl)-2-naphthyl)terephthalamic acid, Tox21_112725_1, AC-7049, AN-5217, API0005327, CS-0654, DB04942, 4-[[(5,6,7,8-Tetrahydro-5,5,8,8-tetramethyl-2-naphthalenyl)amino]carbonyl]benzoic acid, NCGC00181111-02, 121GE003, AJ-23394, AS-14083, BR-72889, CC-34634, HY-14652, LS-38350, NCI60_004716, AB0009956, AX8113755, TR-029540, 4CH-007027, AM20060757, FT-0080835, FT-0601534, ST24028715, SW219913-1, Z-208, C12864, D01418, J90051, S-7407, 497T515, C-20659, I14-1960, 4-(((5,5,8,8-Tetramethyl-5,6,7,8-tetrahydro-2-naphthalenyl)amino)carbonyl)benzoic acid, 4-(5,5,8,8-tetramethyl-5,6,7,8-tetrahydronaphthalen-2-ylcarbamoyl)benzoic acid, Terephthalic acid mono-5,5,8,8-tetramethyl- 5,6,7, 8-tetrahydro-2-naphthylamide, Terephthalic acid mono-5,8,8-tetramethyl- 5,6,7,8-tetrahydro-2-naphthylamide, D02GTY, C22H25NO3, C22-H25-N-O3, CID108143, ACN-040168, Tamibarotene (oral, Alzheimer's disease), A3856, A11589, C061133, 4-[(5,6,7,8-Tetrahydro-5,5,8,8-tetramethyl-2-naphthalenyl)carbamoyl]benzoicacid, p-(5,6,7,8-Tetrahydro-5,5,8,8-tetramethyl-2-naphthylcarba-moyl)benzoic acid, A80,

Complexity	546
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	351.183g/mol
Formal Charge	0
Heavy Atom Count	26
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	351.446g/mol
Monoisotopic Mass	351.183g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	66.4A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	5.4

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

Lot Number