AG007QG4

118292-41-4 | 3-Pyridinecarboxylicacid, 6-[2-(3,4-dihydro-4,4-dimethyl-2H-1-benzothiopyran-6-yl)ethynyl]-

AG007QG4

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CAS Number	118292-41-4
Catalog Number	AG007QG4(AGN-PC-0JMVO1)
Chemical Name	3-Pyridinecarboxylicacid, 6-[2-(3,4-dihydro-4,4-dimethyl-2H-1-benzothiopyran-6-yl)ethynyl]-
IUPAC Name	6-[2-(4,4-dimethyl-2,3-dihydrothiochromen-6-yl)ethynyl]pyridine-3-carboxylic acid
InChI	InChI=1S/C19H17NO2S/c1-19(2)9-10-23-17-8-4-13(11-16(17)19)3-6-15-7-5-14(12-20-15)18(21)22/h4-5,7-8,11-12H,9-10H2,1-2H3,(H,21,22)
InChI Key	IQIBKLWBVJPOQO-UHFFFAOYSA-N
MDL Number	MFCD00872121
Molecular Formula	C19H17NO2S
Molecular Weight	323.4088
SMILES	O=C(O)C1=CN=C(C#CC2=CC(C(C)(C)CCS3)=C3C=C2)C=C1
UNII	85FDJ14553
Synonyms	6-(2-(4,4-dimethylthiochroman-6-yl)ethynyl)nicotinic acid, AGN 190299, AGN-190299, Tazarotenic acid, 118292-41-4, Agn 190299, AGN-190299, UNII-85FDJ14553, 6-((4,4-Dimethylthiochroman-6-yl)ethynyl)nicotinic acid, 6-(2-(4,4-Dimethylthiochroman-6-yl)ethynyl)nicotinic acid, CHEBI:73129, 3-Pyridinecarboxylicacid, 6-[2-(3,4-dihydro-4,4-dimethyl-2H-1-benzothiopyran-6-yl)ethynyl]-, 6-((3,4-Dihydro-4,4-dimethyl-2H-1-benzothiopyran-6-yl)ethynyl)-3-pyridinecarboxylic acid, 6-[2-(3,4-Dihydro-4,4-dimethyl-2H-1-benzothiopyran-6-yl)ethynyl]-3-pyridine carboxylic acid, 85FDJ14553, 6-[(4,4-dimethyl-3,4-dihydro-2H-1-benzothiopyran-6-yl)ethynyl]nicotinic acid, 6-[2-(4,4-dimethyl-2,3-dihydrothiochromen-6-yl)ethynyl]pyridine-3-carboxylic acid, Tazarotenic, ACMC-20enbg, PubChem16389, AC1L3VCS, SCHEMBL678713, CHEMBL1201375, CTK0I0169, ZINC24890, DTXSID60152094, IQIBKLWBVJPOQO-UHFFFAOYSA-N, 6-(4,4-DIMETHYL-THIOCHROMAN-6-YLETHYNYL)-NICOTINIC ACID, BCP07476, Tazarotenic acid (AGN 190299), Tazarotenic acid, >=98% (HPLC), AKOS024123908, AN-33001, BC201580, RT-015885, FT-0674823, A14347, C21518, 292D414, A803905, J-003730, 6-(4,4-dimethylthiochroman-6-ylethynyl) nicotinic acid, 6-[2-(4,4-dimethylthiochroman-6-yl)ethynyl] nicotinic acid, 6-[2-(4,4-dimethylthiochroman-6-yl)ethynyl]pyridine-3-carboxylic acid, 6-[(4,4-dimethyl-3,4-dihydro-2H-thiochromen-6-yl)ethynyl]pyridine-3-carboxylic acid, 6-[2-(4,4-dimethyl-2,3-dihydro-1-benzothiopyran-6-yl)ethynyl]-3-pyridinecarboxylic acid, 3-Pyridinecarboxylic acid, 6-((3,4-dihydro-4,4-dimethyl-2H-1-benzothiopyran-6-yl)ethynyl)-, 6-[2-(3,4-Dihydro-4,4-dimethyl-2H-1-benzothiopyran-6-yl)ethynyl]-3-pyridinecarboxylic Acid, C19H17NO2S, C19-H17-N-O2-S, CID147525, CS-O-10335, C090766,

Complexity	518
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	323.098g/mol
Formal Charge	0
Heavy Atom Count	23
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	323.41g/mol
Monoisotopic Mass	323.098g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	75.5A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	4.2

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P280-P301+P312-P302+P352-P305+P351+P338
UN Code

Certificate of Analysis

Lot Number