AG00IA62

56974-61-9 | Benzoic acid, 4-[[6-[(aminoiminomethyl)amino]-1-oxohexyl]oxy]-, ethylester, monomethanesulfonate

AG00IA62

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CAS Number	56974-61-9
Catalog Number	AG00IA62(AGN-PC-0SMU0T)
Chemical Name	Benzoic acid, 4-[[6-[(aminoiminomethyl)amino]-1-oxohexyl]oxy]-, ethylester, monomethanesulfonate
EC Number	611-438-2
IUPAC Name	ethyl 4-[6-(diaminomethylideneamino)hexanoyloxy]benzoate;methanesulfonic acid
InChI	InChI=1S/C16H23N3O4.CH4O3S/c1-2-22-15(21)12-7-9-13(10-8-12)23-14(20)6-4-3-5-11-19-16(17)18;1-5(2,3)4/h7-10H,2-6,11H2,1H3,(H4,17,18,19);1H3,(H,2,3,4)
InChI Key	DNTNDFLIKUKKOC-UHFFFAOYSA-N
MDL Number	MFCD00210299
Molecular Formula	C17H27N3O7S
Molecular Weight	417.4772
SMILES	O=C(OCC)C1=CC=C(OC(CCCCCNC(N)=N)=O)C=C1.CS(=O)(O)=O
UNII	E3Q07L0649
Synonyms	Foy, Gabexate, Gabexate Mesilate, Gabexate Mesylate, Gabexate Methanesulfonate, Gabexate Monomethanesulfonate, Gabexate Monomethanesulfonate, 14C Labeled Cpd, Gabexate Monomethanesulfonate, 14C-Labeled Cpd, Mesilate, Gabexate, Mesylate, Gabexate, Methanesulfonate, Gabexate, Monomethanesulfonate, Gabexate, Gabexate mesylate, 56974-61-9, Gabexate mesilate, Gabexate monomethanesulfonate, Gabexate (mesylate), Megacart, Gabexate Methanesulfonate, FOY, 39492-01-8, MFCD00210299, UNII-E3Q07L0649, NCGC00017121-01, CPD000058918, CAS-56974-61-9, DSSTox_CID_25591, DSSTox_RID_80986, DSSTox_GSID_45591, C17H27N3O7S, 4-[[6-[(aminoiminomethyl)amino]-1-oxohexyl]oxy]benzoic acid ethyl ester mesylate, 4-[[6-[(Aminoiminomethyl)amino]-1-oxohexyl]oxyl]benzoic acid ethyl ester mesylate salt, SMR000058918, E3Q07L0649, SR-01000597763, Arodate, Megacert, Mesyl Gabexate, gabexate-mesylate, Arodate (TN), PubChem4068, AC1O7GMA, Gabexate mesilate (JP17), MLS001401400, MLS002222309, MLS006010132, SCHEMBL317799, CHEMBL1398351, DTXSID0045591, CHEBI:31641, FOY-S 983, KS-00000XPD, FOY 007, HMS1571I17, HMS2051A22, HMS2098I17, HMS2230M20, HMS3268G12, HMS3370J02, HMS3393A22, HMS3655F19, HMS3676H16, HMS3715I17, BCP13557, HY-B0385, Tox21_110789, AC-467, AKOS015889904, AKOS025402087, Tox21_110789_1, API0024746, CCG-100903, CCG-221008, CS-2457, KS-1203, NC00153, VA10991, ACM39492018, NCGC00025297-04, AK323635, BC208332, SAM001246730, SMR002530330, AB2000505, FT-0630694, G0464, SW197284-3, D01672, J10214, 492G018, A831268, C-22025, I06-0358, SR-01000597763-1, SR-01000597763-2, 56974-61-9 39492-01-8(base), ethyl 4-(6-guanidinohexanoyloxy)benzoate methanesulfonate, Gabexate mesylate, analytical standard, for drug analysis, ethyl 4-((6-guanidinohexanoyl)oxy)benzoate methanesulfonate, 4-[[6-[(aminoiminomethyl)amino]-1-oxohexyl]oxy]-benzoic acid ethyl ester mesylate, 4-[6-(diaminomethylideneamino)-1-oxohexoxy]benzoic acid ethyl ester; methanesulfonic acid, ethyl 4-[6-(diaminomethylideneamino)hexanoyloxy]benzoate; methanesulfonic acid, ethyl 4-[6-[bis(azanyl)methylideneamino]hexanoyloxy]benzoate; methanesulfonic acid, 4-[[6-[(Aminoiminomethyl)amino]-1-oxohexyl]oxy]benzoic Acid Ethyl Ester Mesylate / Gabexate Methanesulfonate, 4-[[6-[(Aminoiminomethyl)amino]-1-oxohexyl]oxy]benzoic Acid Ethyl Ester Monomethanesulfonate, Benzoic acid, 4-[[6-[(aminoiminomethyl)amino]-1-oxohexyl]oxy]-, ethylester, monomethanesulfonate, gabexate, null, Gabexato, Gabexatum, Gabexato mesilato, Mesilate, Gabexate, Mesylate, Gabexate, Gabexate [INN], Gabexatum [INN-Latin], Gabexato [INN-Spanish], Gabexate mesilate [JAN], Methanesulfonate, Gabexate, Gabexato mesilato [Spanish], Monomethanesulfonate, Gabexate, UNII-4V7M9137X9, 56974-61-9 (mesylate), C16H23N3O4.CH4O3S, s2101, C16-H23-N3-O4, CID6604561, C16-H23-N3-O4.C-H4-O3-S, Gabexate Monomethanesulfonate, 14C Labeled Cpd, Gabexate Monomethanesulfonate, 14C-Labeled Cpd, D016670, p-hydroxybenzoic acid ethyl ester 6-guanidinohexanoate, Ethyl p-(6-guanidinohexanoxyloxy)benzoate methanesulfonate, Ethyl p-(6-guanidinohexanoyloxy) benzoate methanesulfonate, Gabexate mesylate, 97%, serine protease inhibitor - 1MG 1mg, p-Hydroxybenzoic acid ethyl ester 6-guanidinohexanoate mesilate, 4-[[6-[(Aminoiminomethyl)amino]-1-oxohexyl]oxy]benzoic acid ethyl ester, Benzoic acid, 4-((6-((aminoiminomethyl)amino)-1-oxohexyl)oxy)-, ethyl ester, Benzoic acid, 4-[[6-[(aminoiminomethyl)amino]-1-oxohexyl]oxy]-, ethyl ester, monomethanesulfonate,

Complexity	493
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	2
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	417.157g/mol
Formal Charge	0
Heavy Atom Count	28
Hydrogen Bond Acceptor Count	8
Hydrogen Bond Donor Count	3
Isotope Atom Count	0
Molecular Weight	417.477g/mol
Monoisotopic Mass	417.157g/mol
Rotatable Bond Count	11
Topological Polar Surface Area	180A^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