AG00ICJW

74711-43-6 | 10,11-Dihydro-α-methyl-10-oxodibenzo[b,f]thiepin-2-acetic acid

AG00ICJW

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CAS Number	74711-43-6
Catalog Number	AG00ICJW(AGN-PC-0U5WM7)
Chemical Name	10,11-Dihydro-α-methyl-10-oxodibenzo[b,f]thiepin-2-acetic acid
EC Number	277-973-5
IUPAC Name	2-(6-oxo-5H-benzo[b][1]benzothiepin-3-yl)propanoic acid
InChI	InChI=1S/C17H14O3S/c1-10(17(19)20)11-6-7-15-12(8-11)9-14(18)13-4-2-3-5-16(13)21-15/h2-8,10H,9H2,1H3,(H,19,20)
InChI Key	MUXFZBHBYYYLTH-UHFFFAOYSA-N
MDL Number	MFCD00864323
Molecular Formula	C17H14O3S
Molecular Weight	298.3563
SMILES	C(C(=O)O)(C)c1cc2c(cc1)Sc1c(C(=O)C2)cccc1
Synonyms	zaltoprofen, 74711-43-6, 2-(10-oxo-10,11-dihydrodibenzo[b,f]thiepin-2-yl)propanoic acid, Soleton, 89482-00-8, Zaltoprofene, Zaltoprofeno, Zaltoprofenum, CN 100, CN-100, Peon, Zaltoprofen (unspecified), C17H14O3S, EINECS 277-973-5, 2-(10,11-Dihydro-10-oxodibenzo[b,f]thiepin-2-yl)propionic Acid, 2-(6-oxo-5H-benzo[b][1]benzothiepin-3-yl)propanoic acid, NCGC00183878-01, AK-77321, (+-)-2-(10,11-Dihydro-10-oxodibenzo(b,f)thiepin-2-yl)propionic acid, 10,11-Dihydro-alpha-methyl-10-oxodibenzo(b,f)thiepin-2-acetic acid, DSSTox_CID_29002, DSSTox_RID_83267, DSSTox_GSID_49076, Dibenzo(b,f)thiepin-2-acetic acid, 10,11-dihydro-alpha-methyl-10-oxo-, SMR003500719, Zaltoprofen [INN], CAS-74711-43-6, Zaltoprofen [INN:JAN], Zaltoprofene [INN-French], Zaltoprofenum [INN-Latin], Zaltoprofeno [INN-Spanish], Soreton, Zaltoprofen (+-)-, Peon (TN), Zaltoprofen sodium salt, PubChem23172, AC1L1KZK, AC1Q5RWY, Zaltoprofen (JP17/INN), Zaltoprofen tablets (JP17), KSC663C7T, MLS004774050, MLS006010214, SCHEMBL124047, CHEMBL1765291, DTXSID0049076, CHEBI:32306, CTK5G3179, MUXFZBHBYYYLTH-UHFFFAOYSA-N, HMS3656J14, BCP02387, HY-B0619, KS-000011JV, Tox21_113634, ANW-73843, MFCD00864323, s3008, ZC-102, AKOS015895991, Tox21_113634_1, CS-2855, DB06737, GS-3949, KS-00000M22, NCGC00263585-01, NCGC00263585-04, 4CA-1367, AN-35228, AN-37155, BC218907, BR-77321, CC-35667, K593, LS-61331, SC-95588, AB0014300, AX8055672, ST2415997, TC-162588, FT-0630837, FT-0656731, SW219801-1, W8232, D01547, S-3152, AB01565848_02, 711Z436, A838204, C-18671, I06-1768, I09-1269, F0001-2421, 10,11-Dihydro-|A-methyl-10-oxodibenzo[b,f]thiepin-2-acetic Acid, 2-(10,11-dihydro-10-oxodibenzo [b,f] thiepin-2-yl)propionic acid, 2-(10,11-dihydro-10-oxodibenzo[b,f]thiepin-2-yl)-propionic acid, 2-(6-oxidanylidene-5H-benzo[b][1]benzothiepin-3-yl)propanoic acid, (+-)-10,11-Dihydro-alpha-methyl-10-oxodibenzo(b,f)thiepin-2-acetic acid, (alphaR)-10,11-Dihydro-alpha-methyl-10-oxodibenzo[b,f]thiepin-2-acetic acid, (alphaS)-10,11-Dihydro-alpha-methyl-10-oxodibenzo[b,f]thiepin-2-acetic acid, 2-{10-oxo-2-thiatricyclo[9.4.0.0(3),?]pentadeca-1(15),3,5,7,11,13-hexaen-6-yl}propanoic acid, 2-{10-oxo-2-thiatricyclo[9.4.0.0^{3,8}]pentadeca-1(11),3(8),4,6,12,14-hexaen-6-yl}propanoic acid, UNII-H8635NG3PY, H8635NG3PY, CID5720, AR-1C6056, C17-H14-O3-S, CS-O-02603, Z0021, 10,11-Dihydro-alpha-methyl-10-oxo-dibenzo[b,f]thiepin-2-aceticacid, 10,11-dihydro-alpha-methyl-10-oxodibenzo[b,f]thiepin-2-acetic acid, 950-48-1,

Complexity	422
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	298.066g/mol
Formal Charge	0
Heavy Atom Count	21
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	298.356g/mol
Monoisotopic Mass	298.066g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	79.7A^2
Undefined Atom Stereocenter Count	1
Undefined Bond Stereocenter Count	0
XLogP3	3.5

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