AG003SPE

82956-11-4 | Benzoic acid, 4-[(aminoiminomethyl)amino]-, 6-(aminoiminomethyl)-2-naphthalenyl ester, dimethanesulfonate

AG003SPE

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CAS Number	82956-11-4
Catalog Number	AG003SPE(AGN-PC-0LPWEJ)
Chemical Name	Benzoic acid, 4-[(aminoiminomethyl)amino]-, 6-(aminoiminomethyl)-2-naphthalenyl ester, dimethanesulfonate
IUPAC Name	(6-carbamimidoylnaphthalen-2-yl) 4-(diaminomethylideneamino)benzoate;methanesulfonic acid
InChI	InChI=1S/C19H17N5O2.2CH4O3S/c20-17(21)14-2-1-13-10-16(8-5-12(13)9-14)26-18(25)11-3-6-15(7-4-11)24-19(22)23;2*1-5(2,3)4/h1-10H,(H3,20,21)(H4,22,23,24);2*1H3,(H,2,3,4)
InChI Key	SRXKIZXIRHMPFW-UHFFFAOYSA-N
MDL Number	MFCD00941430
Molecular Formula	C20H21N5O5S
Molecular Weight	443.4762
SMILES	C(=N)(N)c1cc2c(cc1)cc(cc2)OC(=O)c1ccc(cc1)NC(=N)N.S(=O)(=O)(C)O
UNII	1D2T74921W
Synonyms	6'-amidino-2-naphthyl 4-guanidinobenzoate, FUT 175, FUT-175, nafamostat, nafamostat dihydrochloride, nafamostat mesilate, nafamostat mesylate, nafamstat mesilate, Nafamostat mesylate, 82956-11-4, Futhan, nafamostat mesilate, FUT-175, Nafamostat (mesylate), Nafamstat Mesilate, 6-amidino-2-naphthyl 4-guanidino-benzoate dimethanesulphonate, Nafamstat, Nafamostat Mesylate(FUT-175), UNII-1D2T74921W, 6-Amidino-2-naphthyl-4-guanidinobenzoate Dimethanesulfonate, AK468861, 6-Carbamimidoylnaphthalen-2-yl 4-guanidinobenzoate dimethanesulfonate, 1D2T74921W, 6-[amino(imino)methyl]-2-naphthyl 4-{[amino(imino)methyl]amino}benzoate dimethanesulfonate, Benzoic acid, 4-[(aminoiminomethyl)amino]-, 6-(aminoiminomethyl)-2-naphthalenyl ester, dimethanesulfonate, nafamstatmesilate, Nafamostat-mesylate, Ronastat (TN), MFCD00941430, ester,dimethanesulfonate, AC1NSK5Q, Nafamostat mesilate (JP17), SCHEMBL1568755, CHEMBL3989553, HY-B0190A, EBD7026, HMS3654J21, 6-Amidino-2-naphthyl 4-Guanidinobenzoate Bis(methanesulfonate), ACT04728, BCP04841, C19H17N5O2.2CH3SO3H, KS-000001EJ, AC-984, BN0862, CN0030, KM2146, s1386, 4-Guanidinobenzoic Acid 6-Amidino-2-naphthyl Ester Bis(methanesulfonate), AKOS015852498, Nafamostat mesylate, >=98% (HPLC), API0003481, CCG-207877, CS-2083, HS-0059, RL05151, S25N102, BC227958, M731, FT-0080868, FT-0601583, Futhan, FUT-175, 82956-11-4, N0959, SW219392-1, D01670, C-23145, I14-0510, J-518196, 6-carbamimidoylnaphthalen-2-yl 4-carbamimidamidobenzoate dimesylate, 4-((aminoiminomethyl)amino)-benzoicaci6-(aminoiminomethyl)-2-naphthalenyl, (6-carbamimidoylnaphthalen-2-yl) 4-(diaminomethylideneamino)benzoate; methanesulfonic acid, 4-[(Aminoiminomethyl)amino]benzoic acid 6-(aminoiminomethyl)-2-naphthalenyl ester dimethanesulfonate, Nafamostat, Nafamostatmesylate, Nafamostat mesylate (USAN), Nafamostat mesylate [USAN], cc-149, 82956-11-4 (mesylate), FUT 175, C19H17N5O2.2CH4O3S, ACN-056637, CID5311180, C19-H17-N5-O2.2C-H4-O3-S, A10617, 6-Amidino-2-naphthyl 4-guanidinobenzoate dimethanesulfonate, 6-Amidino-2-naphthyl p-guanidinobenzoate, dimethanesulfonate, Nafamostat mesylate, 98%, broad spectrum, potent protease inhibitor - 10MG 10mg, 81525-10-2,

Complexity	645
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	3
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	539.114g/mol
Formal Charge	0
Heavy Atom Count	36
Hydrogen Bond Acceptor Count	10
Hydrogen Bond Donor Count	6
Isotope Atom Count	0
Molecular Weight	539.578g/mol
Monoisotopic Mass	539.114g/mol
Rotatable Bond Count	5
Topological Polar Surface Area	266A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302
Packing Group
Precautionary statements	P280-P305+P351+P338
UN Code	\N

Certificate of Analysis

Lot Number