AG0034YT

33342-05-1 | 1-cyclohexyl-3-({4-[2-(7-methoxy-4,4-dimethyl-1,3-dioxo-1,2,3,4-tetrahydroisoquinolin-2-yl)ethyl]benzene}sulfonyl)urea

AG0034YT

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CAS Number	33342-05-1
Catalog Number	AG0034YT(AGN-PC-0R8WBB)
Chemical Name	1-cyclohexyl-3-({4-[2-(7-methoxy-4,4-dimethyl-1,3-dioxo-1,2,3,4-tetrahydroisoquinolin-2-yl)ethyl]benzene}sulfonyl)urea
EC Number	251-463-2
IUPAC Name	1-cyclohexyl-3-[4-[2-(7-methoxy-4,4-dimethyl-1,3-dioxoisoquinolin-2-yl)ethyl]phenyl]sulfonylurea
InChI	InChI=1S/C27H33N3O6S/c1-27(2)23-14-11-20(36-3)17-22(23)24(31)30(25(27)32)16-15-18-9-12-21(13-10-18)37(34,35)29-26(33)28-19-7-5-4-6-8-19/h9-14,17,19H,4-8,15-16H2,1-3H3,(H2,28,29,33)
InChI Key	LLJFMFZYVVLQKT-UHFFFAOYSA-N
MDL Number	MFCD00631870
Molecular Formula	C27H33N3O6S
Molecular Weight	527.6324
SMILES	C1(CCCCC1)NC(NS(=O)(=O)C1=CC=C(C=C1)CCN1C(C2=CC(=CC=C2C(C1=O)(C)C)OC)=O)=O
UNII	C7C2QDD75P
Synonyms	AR-DF 26, Beglynor, Beglynora, glikvidon, gliquidone, gliquidone, calcium salt, gliquidone, monosodium salt, Glurenor, Glurenorm, glycvidon, Gliquidone, 33342-05-1, Glurenorm, Beglynor, Gliquidonum, Gliquidonum [INN-Latin], Gliquidona [INN-Spanish], ARDF 26 SE, ARDF 26, C27H33N3O6S, UNII-C7C2QDD75P, EINECS 251-463-2, MFCD00631870, BRN 1559726, C7C2QDD75P, 1-cyclohexyl-3-[4-[2-(7-methoxy-4,4-dimethyl-1,3-dioxoisoquinolin-2-yl)ethyl]phenyl]sulfonylurea, glikvidon, glycvidon, NCGC00016819-01, Beglynora, Gliquidona, CAS-33342-05-1, DSSTox_CID_3096, DSSTox_RID_76873, DSSTox_GSID_23096, 1-Cyclohexyl-3-((p-(2-(3,4-dihydro-7-methoxy-4,4-dimethyl-1,3-dioxo-2(1H)-isoquinolyl)ethyl)phenyl)sulfonyl)urea, 1-Cyclohexyl-3-(p-beta-(4,4-dimethyl-2-methoxy-1,3-(2H,4H)-isoquinolinedione-2-yl)phenethyl)sulfonylurea, 3-Cyclohexyl-1-[4-[2-(7-methoxy-4,4-dimethyl-1,3-dioxo-isoquinolin-2-yl)ethyl]phenyl]sulfonyl-urea, Benzenesulfonamide, N-((cyclohexylamino)carbonyl)-4-(2-(3,4-dihydro-7-methoxy-4,4-dimethyl-1,3-dioxo-2(1H)-isoquinolinyl)ethyl)-, N-(Cyclohexylcarbamoyl)-4-(2-(7-methoxy-4,4-dimethyl-1,3-dioxo-3,4-dihydroisoquinolin-2(1H)-yl)ethyl)benzenesulfonamide, Gliquidone [BAN:INN], Glurenorm (TN), 1-cyclohexyl-3-[4-[2-(7-methoxy-4,4-dimethyl-1,3-dioxo-2-isoquinolinyl)ethyl]phenyl]sulfonylurea, Gliquidone (INN), SMR000685793, AR-DF 26, Gliquidone [INN:BAN], Gliquidon, Gliquidone,(S), AC1L3MFD, Prestwick0_000991, Prestwick1_000991, Prestwick2_000991, Prestwick3_000991, Oprea1_069443, SCHEMBL37769, ARDF-26, BSPBio_001081, MLS000881123, MLS000881174, MLS002154087, SPBio_002972, BPBio1_001191, CHEMBL383634, DTXSID4023096, CHEBI:93416, CTK8B3534, KS-00000XIQ, HMS1571G03, HMS2098G03, HMS2964J06, HMS3652O05, HMS3715G03, ACT06290, BCP11927, HY-B1114, ZINC1482077, Tox21_110629, ANW-42682, CG0041, AKOS001037880, Tox21_110629_1, API0002843, CCG-220991, CM14378, CS-4646, DB01251, KS-5239, MCULE-6775445815, NCGC00016819-02, NCGC00016819-03, NCGC00016819-05, NCGC00016819-06, NCGC00179315-01, 1-cyclohexyl-3-(p-beta-(4,4- dimethyl-2-methoxy-1,3-(2H,4H)-isoquinolinedione- 2-yl)phenethyl)sulfonylurea, AC-23356, AK343641, BC214705, CC-28983, LS-31460, N-[(cyclohexylamino)carbonyl]-4-{2-[4,4-dimethyl-7-(methyloxy)-1,3-dioxo-3,4-dihydroisoquinolin-2(1H)-yl]ethyl}benzenesulfonamide, SC-13574, LS-159650, N-(cyclohexylcarbamoyl)-4-(2-(7-methoxy-, TL8002523, TR-013968, AB00513989, FT-0630570, G0332, S3151, SW197285-3, D02430, J10245, 4,4-dimethyl-1,3-dioxo-3,4-dihydroisoquinolin, AB00513989_07, 342G051, A821736, C-23093, SR-01000833866, I06-0185, J-019153, SR-01000833866-2, BRD-K80396088-001-03-9, 1-cyclohexyl-3-[4-[2-[7-methoxy-4,4-dimethyl-1,3-bis(oxidanylidene)isoquinolin-2-yl]ethyl]phenyl]sulfonyl-urea, 3-cyclohexyl-1-({4-[2-(7-methoxy-4,4-dimethyl-1,3-dioxo-1,2,3,4-tetrahydroisoquinolin-2-yl)ethyl]benzene}sulfonyl)urea, 3-cyclohexyl-1-{4-[2-(7-methoxy-4,4-dimethyl-1,3-dioxoisoquinolin-2-yl)ethyl]benzenesulfonyl}urea, Gliquidone sodium, Glurenor, Glurenorm sodium, gliquidone calcium, gliquidone monosodium, AR-DF 26 sodium, gliquidone, calcium salt, D06HBQ, gliquidone, monosodium salt, C27H32N3O6S.Na, CID91610, -2(1H)-yl)ethyl)benzenesulfonamide, C27-H32-N3-O6-S.Na, C27-H33-N3-O6-S, CS-O-01599, B2196, C010969, 3-cyclohexyl-1-[4-[2- ethyl]phenyl]sulfonyl-urea, Gliquidone, 98%, an anti-diabetic compound - 1G 1g, 62783-47-5, Benzenesulfonamide, N-((cyclohexylamino)carbonyl)-4-(2-(3,4-dihydro-7-methoxy-4,4-dimethyl-1,3-dioxo-2(1H)-isoquinolinyl)ethyl)-, sodium salt, Benzenesulfonamide, N-[(cyclohexylamino)carbonyl]-4-[2-(3,4-dihydro-7-methoxy-4,4-dimethyl-1,3-dioxo-2(1H)-isoquinolinyl)ethyl]-, Benzenesulfonamide, N-[(cyclohexylamino)carbonyl]-4-[2-(3,4-dihydro-7-methoxy-4,4-dimethyl-1,3-dioxo-2(1H)-isoquinolinyl)ethyl]-, monosodium salt,

Complexity	948
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	527.209g/mol
Formal Charge	0
Heavy Atom Count	37
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	527.636g/mol
Monoisotopic Mass	527.209g/mol
Rotatable Bond Count	7
Topological Polar Surface Area	130A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	4.6

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	6.1
Hazard statements	H302-H315-H319-H335
Packing Group	Ⅲ
Precautionary statements	P261-P305+P351+P338
UN Code	UN 2811

Certificate of Analysis

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