AG000KXN

123663-49-0 | Methanesulfonamide, N-[3-(formylamino)-4-oxo-6-phenoxy-4H-1-benzopyran-7-yl]-

AG000KXN

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CAS Number	123663-49-0
Catalog Number	AG000KXN(AGN-PC-0PHO52)
Chemical Name	Methanesulfonamide, N-[3-(formylamino)-4-oxo-6-phenoxy-4H-1-benzopyran-7-yl]-
IUPAC Name	N-[7-(methanesulfonamido)-4-oxo-6-phenoxychromen-3-yl]formamide
InChI	InChI=1S/C17H14N2O6S/c1-26(22,23)19-13-8-15-12(17(21)14(9-24-15)18-10-20)7-16(13)25-11-5-3-2-4-6-11/h2-10,19H,1H3,(H,18,20)
InChI Key	ANMATWQYLIFGOK-UHFFFAOYSA-N
MDL Number	MFCD00882374
Molecular Formula	C17H14N2O6S
Molecular Weight	374.3679
SMILES	O=CNC1=COC2=C(C=C(OC3=CC=CC=C3)C(NS(=O)(C)=O)=C2)C1=O
UNII	4IHY34Y2NV
Synonyms	3-formylamino-7-methylsulfonylamino-6-phenoxy-4H-1-benzopyran-4-one, T 614, T-614, Iguratimod, 123663-49-0, Careram, N-(7-(Methylsulfonamido)-4-oxo-6-phenoxy-4H-chromen-3-yl)formamide, Kolbet, T-614, Iremod, UNII-4IHY34Y2NV, 4IHY34Y2NV, 3-Formylamino-7-methylsulfonylamino-6-phenoxy-4H-1-benzopyran-4-one, NCGC00181783-02, AK-56852, T614, C17H14N2O6S, Iguratimod [INN], Colvet, T 614, Methanesulfonamide, N-(3-(formylamino)-4-oxo-6-phenoxy-4H-1-benzopyran-7-yl)-, Methanesulfonamide, N-[3-(formylamino)-4-oxo-6-phenoxy-4H-1-benzopyran-7-yl]-, Iguratimod (JAN/INN), AC1L3Y4A, DSSTox_CID_28897, DSSTox_RID_83165, DSSTox_GSID_48971, SCHEMBL26326, GTPL9736, CHEMBL2107455, DTXSID0048971, Iguratimod, >=98% (HPLC), CHEBI:31689, CTK8B4310, ANMATWQYLIFGOK-UHFFFAOYSA-N, BCP04206, KS-00000L1V, Tox21_113422, ANW-44670, MFCD00882374, AKOS015888743, ZINC100018451, ACN-028893, API0005045, CS-0617, DB12233, RL01075, SB16814, NCGC00181783-01, 4CA-0634, AJ-23643, AN-15799, AS-12959, BC222405, HY-17009, SC-90820, ST2419670, A3484, CAS-123663-49-0, FT-0084340, FT-0654508, I0945, D01146, W-5192, 663I490, A805134, SR-01000945251, I01-1265, J-521483, SR-01000945251-1, N-(3-Formamido-4-oxo-6-phenoxy-4H-chromen-7-yl)methanesulfonamide, N-[7-(methanesulfonamido)-4-oxo-6-phenoxy-chromen-3-yl]formamide, N-[7-(methanesulfonamido)-4-oxo-6-phenoxychromen-3-yl]formamide, N-[7-methanesulfonamido-4-oxo-6-(phenoxy)chromen-3-yl]formamide, N-[7-(methanesulfonamido)-4-oxo-6-phenoxy-1-benzopyran-3-yl]formamide, N-[7-(Methanesulfonamido)-4-oxo-6-phenoxy-4H-chromen-3-yl]formamide, T-614|||N-[7-(Methanesulfonamido)-4-oxo-6-phenoxychromen-3-yl]formamide, N-(7-((Methylsulfonyl)amino)-4-oxo-6-phenoxy-4H-1-benzopyran-3-yl)formamide, N-[7-(methylsulfonylamino)-4-oxidanylidene-6-phenoxy-chromen-3-yl]methanamide, Iguratimod (T 614), D0B8MZ, cc-320, C17-H14-N2-O6-S, CID124246, Benzyl 4-hydroxy-1-piperidinecarboxylate, A11464, C077313,

Complexity	665
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	374.057g/mol
Formal Charge	0
Heavy Atom Count	26
Hydrogen Bond Acceptor Count	7
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	374.367g/mol
Monoisotopic Mass	374.057g/mol
Rotatable Bond Count	5
Topological Polar Surface Area	119A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.4

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