AG00I97O

51481-61-9 | (Z)-3-cyano-1-methyl-2-(2-{[(5-methyl-1H-imidazol-4-yl)methyl]sulfanyl}ethyl)guanidine

AG00I97O

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CAS Number	51481-61-9
Catalog Number	AG00I97O(AGN-PC-0JK6CA)
Chemical Name	(Z)-3-cyano-1-methyl-2-(2-{[(5-methyl-1H-imidazol-4-yl)methyl]sulfanyl}ethyl)guanidine
EC Number	257-232-2
IUPAC Name	1-cyano-2-methyl-3-[2-[(5-methyl-1H-imidazol-4-yl)methylsulfanyl]ethyl]guanidine
InChI	InChI=1S/C10H16N6S/c1-8-9(16-7-15-8)5-17-4-3-13-10(12-2)14-6-11/h7H,3-5H2,1-2H3,(H,15,16)(H2,12,13,14)
InChI Key	AQIXAKUUQRKLND-UHFFFAOYSA-N
MDL Number	MFCD07774154
Molecular Formula	C10H16N6S
Molecular Weight	252.3392
SMILES	CC1=C(CSCCN/C(NC)=NC#N)N=CN1
UNII	80061L1WGD
Synonyms	Altramet, Biomet, Biomet400, Cimetidine, Cimetidine HCl, Cimetidine Hydrochloride, Eureceptor, HCl, Cimetidine, Histodil, Hydrochloride, Cimetidine, N-Cyano-N'-methyl-N''-(2-(((5-methyl-1H-imidazol-4-yl)methyl)thio)ethyl)guanidine, SK and F 92334, SK and F-92334, SK and F92334, SKF 92334, SKF-92334, SKF92334, Tagamet, cimetidine, 51481-61-9, Tagamet, Eureceptor, Tametin, Dyspamet, Ulcedine, Acinil, Cimetag, Tratul, Ulcedin, Acibilin, Cimetidina, Gastromet, Cimetum, Edalene, Ulcimet, Ulcomet, Cimal, Ulhys, Tagamet Hb, Cimetidine Hcl, Tagamet Hb 200, Cimetidinum, Ulcomedina, Metracin, Valmagen, Altramet, Gastrobitan, Ulcestop, Ulcofalk, Evicer, Peptol, Sigmetadine, SKF-92334, Magicul, Venopex, SKF 92334, Cimetidinum [INN-Latin], Cimetidina [INN-Spanish], DRG-0150, 2-Cyano-1-methyl-3-(2-(((5-methylimidazol-4-yl)methyl)thio)ethyl)guanidine, Cimetidine, A Type, UNII-80061L1WGD, N-Cyano-N'-methyl-N''-[2-[[(4-methyl-1H-imidazol-5-yl)methyl]thio]ethyl]guanidine, CCRIS 3247, CHEBI:3699, HSDB 3917, 1-Cyano-2-methyl-3-(2-(((5-methyl-4-imidazolyl)methyl)thio)ethyl)guanidine, FPF 1002, N-Cyano-N'-methyl-N''-(2-(((5-methyl-1H-imidazol-4-yl)methyl)thio)ethyl)guanidine, CHEMBL30, EINECS 257-232-2, MFCD00133296, Brumetadina, 2-cyano-1-methyl-3-(2-{[(5-methyl-1H-imidazol-4-yl)methyl]sulfanyl}ethyl)guanidine, MLS000069791, C10H16N6S, AQIXAKUUQRKLND-UHFFFAOYSA-N, 80061L1WGD, 1-cyano-2-methyl-3-[2-[(5-methyl-1H-imidazol-4-yl)methylsulfanyl]ethyl]guanidine, Guanidine, N-cyano-N'-methyl-N''-(2-(((5-methyl-1H-imidazol-4-yl)methyl)thio)ethyl)-, Guanidine, N-cyano-N'-methyl-N''-[2-[[(5-methyl-1H-imidazol-4-yl)methyl]thio]ethyl]-, NCGC00015240-06, Histodil, SMR000038895, DSSTox_CID_329, 2-cyano-1-methyl-3-(2-{[(5-methyl-1H-imidazol-4-yl)methyl]thio}ethyl)guanidine, DSSTox_RID_75517, Guanidine, N-cyano-N'-methyl-N''-(2-(((5-methyl-1H-imidazol-4-yl)methyl)thio) ethyl)-, N-Cyano-N'-Methyl-N''-(2-(((5-Methyl-1H-Imidazol-4-YL)Methyl)Thio)Ethyl) Guanidine, DSSTox_GSID_20329, Biomet400, Brumetidina, Cimetadine, Ci metum, (E)-2-cyano-1-methyl-3-(2-(((5-methyl-1H-imidazol-4-yl)methyl)thio)ethyl)guanidine, 1-cyano-2-methyl-3-(2-{[(5-methyl-1H-imidazol-4-yl)methyl]sulfanyl}ethyl)guanidine, 2-cyano-1-methyl-3-[2-[(5-methyl-1H-imidazol-4-yl)methylsulfanyl]ethyl]guanidine, Guanidine, N''-cyano-N-methyl-N'-(2-(((5-methyl-1H-imidazol-4-yl)methyl)thio)ethyl)-, Guanidine, N''-cyano-N-methyl-N'-[2-[[(5-methyl-1H-imidazol-4-yl)methyl]thio]ethyl]-, N-cyano-N'-methyl-N''-(2-{[(5-methyl-1H-imidazol-4-yl)methyl]thio}ethyl)guanidine, Tagamet (TN), Equaline acid reducer, CIMETIDINE A/AB, Topcare heartburn relief, Cimetidine [USAN:INN:BAN:JAN], SR-01000075260, SR-05000001434, SK&F-92334, cemitidine, metidine, Neutronorm, Azucimet, Cimagen, Cimeldine, Cimetidin, Cimetimax, Galenamet, Neutromed, Peptimax, Phimetin, Ulcometin, Ulcostad, Acitak, Cedine, Ultek, Cime, Zita, 1-cyano-2-methyl-3-(2-((5-methyl-1H-imidazol-4-yl)methylthio)ethyl)guanidine, 1-cyano-2-methyl-3-[2-[(5-methyl-1H-imidazol-4-yl)methylthio]ethyl]guanidine, Cimetidine,(S), DuraH2, Prestwick_65, {(1E)-1-(methylamino)-4-[(4-methylimidazol-5-yl)methylthio]-2-azabut-1-enyl}am inocarbonitrile, Cimetidine(Tagamet), Cimetidine (Tagamet), Cimetidine [USAN:USP:INN:BAN:JAN], CIMETIDINE A, Spectrum_000495, Tocris-0902, Opera_ID_314, Prestwick3_000026, Spectrum2_000782, Spectrum3_001389, Spectrum4_000812, Spectrum5_001541, Lopac-C-4522, UPCMLD-DP029, C 4522, AC1L1EE8, AC1Q3XK6, SCHEMBL1093, SCHEMBL1094, SKF-92334; Tagamet, Lopac0_000293, BSPBio_000091, BSPBio_002978, KBioGR_001323, KBioSS_000975, US9138393, Cimetidine, US9144538, Cimetidine, MLS001148596, MLS002153265, MLS002154178, DivK1c_000166, SPECTRUM1500684, SPBio_000884, BPBio1_000101, Cimetidine (JP17/USP/INN), GTPL1231, DTXSID4020329, SCHEMBL11282982, UPCMLD-DP029:001, BDBM22889, HMS500I08, KBio1_000166, KBio2_000975, KBio2_003543, KBio2_006111, KBio3_002198, NINDS_000166, BDBM181119, HMS1921C14, HMS2089O03, HMS2092I14, HMS2095E13, HMS2232F16, HMS3259M15, HMS3260L08, HMS3267A03, HMS3369L10, HMS3651E21, HMS3678I17, HMS3712E13, Pharmakon1600-01500684, Cimetidine 1.0 mg/ml in Methanol, EX-A1088, Tox21_110106, Tox21_201160, Tox21_500293, ANW-46065, BDBM50103595, BDBM50403559, CCG-40160, NSC335308, NSC757428, s1845, SBB057794, STK528249, ZINC18115268, 1-Cyano-2-methyl-3-[2-[[(5-methylimidazol-4-yl)methyl]thio]ethyl]guanidine, AKOS005460997, AKOS015900557, AKOS015951369, AKOS016003398, AKOS016340377, AKOS026749950, AKOS032949548, Tox21_110106_1, AB03708, AC-8100, AN-8331, CCG-204388, CCG-220026, CCG-221597, CS-2325, DB00501, KS-5087, LP00293, LS-7278, MCULE-2885245608, NC00501, NSC 335308, NSC-335308, NSC-757428, IDI1_000166, N''-cyano-N-methyl-N'-(2-(((5-methyl-1H-imidazol-4-yl)methyl)thio)-ethyl)guanidine, N''-cyano-N-methyl-N'-(2-{[(5-methyl-1H-imidazol-4-yl)methyl]thio}ethyl)guanidine, N''-Cyano-N-methyl-N'-[2-[(5-methyl-1H-imidazol-4-yl)methylthio]ethyl]guanidine, N-Cyano-N'-methyl-[2-[[[5-methyl-1H-imidazol-4-yl]methyl]thio]ethyl]guanidine, N-Cyano-N'-methyl-N''-(2-(((5-methyl-1 H-imidazol-4-yl) methyl)thio)ethyl)guanidine, N-cyano-N'-methyl-N''-(2-([(5-methyl-1H-imidazol-4-yl)methyl]sulfanyl)ethyl)guanidine, NCGC00015240-01, NCGC00015240-02, NCGC00015240-03, NCGC00015240-04, NCGC00015240-05, NCGC00015240-07, NCGC00024859-01, NCGC00024859-02, NCGC00024859-03, NCGC00024859-04, NCGC00024859-05, NCGC00091439-01, NCGC00091439-02, NCGC00091439-03, NCGC00091439-04, NCGC00091439-05, NCGC00091439-07, NCGC00185989-01, NCGC00188961-01, NCGC00258712-01, NCGC00260978-01, 76181-71-0, AJ-70318, AK-77142, CPD001370748, H505, HY-14289, LS-73445, LS-73446, NCI60_002936, SAM002554892, SC-15209, SBI-0050281.P004, AB0013083, AB1009523, TC-134810, TL8003410, EU-0100293, FT-0602955, ST24048532, ST50411770, SW196380-2, A10218, C06952, D00295, J10340, M-1577, AB00052157-03, AB00052157_04, AB00052157_05, 481C619, A828616, L000186, L003827, L013434, SR-05000001750, I14-0371, Q-200855, Q-200856, SR-01000075260-1, SR-01000075260-3, SR-05000001434-1, SR-05000001434-2, SR-05000001750-1, BRD-K18618618-001-01-6, BRD-K34157611-001-04-6, BRD-K34157611-001-07-9, Z1259192068, Cimetidine, European Pharmacopoeia (EP) Reference Standard, 4H -Dithieno[3,2-b :2',3'-d ]pyrrole, 4-(1-octylnonyl)-, Cimetidine, United States Pharmacopeia (USP) Reference Standard, 1-Ethyl-2,3-dimethylimidazolium tosylate, 98% [EDiMIM] [TOS], 1-Cyan-2-methyl-3-(2-{[(5-methylimidazol-4-yl)methyl]thio}ethyl)guanidin, Cimetidine, Pharmaceutical Secondary Standard; Certified Reference Material, N"-cyano-N-methyl-N'-[2-(5-methylimidazol-4-ylmethylthio)ethyl]-guanidine, N"-cyano-N-methyl-N'-[2-(5-methylimidazol-4-ylmethylthio)ethyl]guanidine, N-cyano-N'-methyl-N"-[2-((4-methyl-5-imidazolyl)methylthio)ethyl]guanidine, N-cyano-N'-methyl-N"-[2-((5-methyl-4-imidazolyl)methylthio)ethyl]guanidine, N-cyano-N'-methyl-N"-[2-(5-methyl-4-imidazolylmethylthio)ethyl]guanidine, (E)-2-cyano-1-methyl-3-(2-{[(5-methyl-1H-imidazol-4-yl)methyl]sulfanyl}ethyl)guanidine, (Z)-1-cyano-2-methyl-3-(2-{[(5-methyl-1H-imidazol-4-yl)methyl]sulfanyl}ethyl)guanidine, 2-Chloro-5-(1-hydroxy-3-oxo-2,3-dihydro-1H-isoindol-1-yl)-benzenesulfonamide(Cimetidine), 2-Methyl-8-phenethyl-imidazo[1,2-a]pyridine-3-carboxylic acid methyl ester(cimetidine), 2-methylamino-2-[2-(4-methyl-1H-5-imidazolylmethylsulfanyl)ethylamino]-(E)-1-imino cyanide, 3-cyano-1-methyl-2-(2-{[(5-methyl-1H-imidazol-4-yl)methyl]sulfanyl}ethyl)guanidine, 3-cyano-2-methyl-1-[2-[(5-methyl-1H-imidazol-4-yl)methylsulfanyl]ethyl]guanidine, 4-(((2-(((cyanoamino)(methylamino)methylene)amino)ethyl)thio)methyl)-5-methyl-1H-imidazole, Cimetidine for peak identification, European Pharmacopoeia (EP) Reference Standard, Cimetidine for system suitability, European Pharmacopoeia (EP) Reference Standard, Guanidine, N-cyano-N'-methyl-N''-[2-[[5-methyl-1H-imidazol-4-yl)methyl]thio]ethyl]-, N''-cyano-N-methyl-N'-(2-((5-methyl-1h-imidazol-4-yl)-methylthio)ethyl)guanidine, N''-cyano-N-methyl-N'-(2-{[(5-methyl-1H-imidazol-4-yl)methyl]sulfanyl}ethyl)guanidine, N-cyano-N'-methyl-N"- [2-((5-methyl-4-imidazolyl)methylthio)ethyl]guanidine, N-cyano-N'-methyl-N"-[2-((4-methyl-5-imidazolyl) methylthio)ethyl]guanidine, N-cyano-N'-methyl-N"-[2-((4-methyl-5-imidazolyl)- methylthio)ethyl]guanidine, N-cyano-N'-methyl-N"-[2-((4-methyl-5-imidazolyl)-methylthio)ethyl]guanidine, N-cyano-N'-methyl-N"-[2-((4-methyl-5-imidazolyl)methyl-thio)ethyl]guanidine, N-cyano-N'-methyl-N"-[2-((4-methyl-5-imidazolyl)methylthio)ethyl) guanidine, N-cyano-N'-methyl-N"-[2-((5-methyl-4-imidazolyl)methylthio)-ethyl]guanidine, N-cyano-N'-methyl-N"-[2-((5-methyl-4-imidazolyl)methylthio)ethyl]-guanidine, N-cyano-N'-methyl-N"-[2-{(5-methyl-1H-imidazol-4-yl)methylthio}ethyl]guanidine, N-Cyano-N'-methyl-N''-(2-([(5-methyl-1H-imidazol-4-yl)methyl]sulfanyl)ethyl)guanidine #, N-Cyano-N'-methyl-N''-[2-[(5-methyl-1H-imidazol-4-yl)methyl]thio]ethyl]guanidine, N-cyano-N'-methyl-N''-[2-[[(5-methylimidazol-4-yl]methyl]thio]ethyl)guanidine, N-cyano-N'-methyl-N-"-[2-((4-methyl-5-imidazolyl)methylthio)ethyl]guanidine, N-methyl-N'-{2-[(5-methylimidazol-4-yl)-methylthio]-ethyl}-N"-cyanoguanidine, N-methyl-N-[2-(5-methyl-1H-4-imidazolylmethylsulfanyl)ethyl]-1-cyanoiminomethanediamine, N-methyl-N-[2-(5-methyl-1H-4-imidazolylmethylsulfanyl)ethyl]imino(-N-cyano)methanediaminem, N-tert-Butyl-N''''''''-[4-(1H-imidazol-4-yl)-phenyl]-formamidine(cimetidine), (Cimetidine) N-Methyl-N''''''''-[2-(5-methyl-1H-imidazol-4-ylmethylsulfanyl)-ethyl]-guanidine,cyanide, (cimetidine) N-methyl-N-[2-(5-methyl-1H-4-imidazolylmethylsulfanyl)ethyl]cyanoiminomethanediamine, (Cimetidine)N-methyl-N-[2-(5-methyl-1H-4-imidazolylmethylsulfanyl)ethyl]cyanomethyliminomethanediamine, 2-methylamino-2-[2-(5-methyl-1H-4-imidazolylmethylsulfanyl)ethylamino]-(Z)-1-imino cyanide(cimetidine), 2984-61-4, 943920-67-0, Guanidine,N-cyano-N'-Methyl-N''-[2-[[(5-Methyl-1H-iMidazol-4-yl)Methyl]thio]ethyl]-,(Z)-, N''''''''''''''''''''''''''''''''-cyano-N-methyl-N''''''''''''''''-(2-{[(5-methyl-1H-imidazol-4-yl)methyl]thio}ethyl)guanidine, N''''''''''''''''-cyano-N-methyl-N''''''''-({[(5-methyl-1H-imidazol-4-yl)methyl]thio}methyl)guanidine(cimetidine), N''''''''''''''''-cyano-N-methyl-N''''''''-(2-{[(5-methyl-1H-imidazol-4-yl)methyl]-lambda~4~-sulfanyl}ethyl)guanidine, N''''''''''''''''-cyano-N-methyl-N''''''''-(2-{[(5-methyl-1H-imidazol-4-yl)methyl]thio}ethyl)guanidine, N''''''''''''''''-cyano-N-methyl-N''''''''-(2-{[(5-methyl-1H-imidazol-4-yl)methyl]thio}ethyl)guanidine (Cimetidine), N''''''''''''''''-cyano-N-methyl-N''''''''-(2-{[(5-methyl-1H-imidazol-4-yl)methyl]thio}ethyl)guanidine(cimetidine), N-Cyano-N''''''''-methyl-N''''''''''''''''-(2-(((5-methyl-1H-imidazol-4-yl) methyl)thio)ethyl)guanidine(Cimetidine), N-cyanomethyl-N''''''''-methyl-N''''''''''''''''-[2-(5-methyl-1H-imidazol-4-ylmethylsulfanyl)-ethyl]-guanidine ( Cimetidine), N-Methyl-N''''''''-[2-(5-methyl-1H-imidazol-4-ylmethylsulfanyl)-ethyl]-cyanoguanidine(cimetidine), N-Methyl-N''''''''-[2-(5-methyl-1H-imidazol-4-ylmethylsulfanyl)-ethyl]-N''''''''''''''''-Cyano-guanidine, N-Methyl-N''''''''-[2-(5-methyl-1H-imidazol-4-ylmethylsulfanyl)-ethyl]-N''''''''''''''''-cyano-guanidine(Cimetidine), N-methyl-N''''''''-cyano-N''''''''''''''''-[2-(5-methyl-1H-imidazol-4-ylmethylsulfanyl)-ethyl]-guanidine, N-methyl-N-[2-(5-methyl-1H-4-imidazolylmethylsulfanyl)ethyl]cyanoiminomethanediamine (cimetidine), Ulcerfen, Biomet, cilostazol, ulcerex, HCl, Cimetidine, Coenzyme Q0, Cimetidine hydrochloride, Tagamet HB (TN), 7CIMETIDINE, Unable to generate value, Hydrochloride, Cimetidine, Tagamet HB200 (TN), D02DPA, Cimetidine (JP15/USP/INN), CID2756, Cimetidine [USAN:BAN:INN:JAN], SKF92334, AC-280, C10-H16-N6-S, c1252, SK&F92334, Cimetidine, 99% - 100G 100g, CS-T-12921, SK&F 92334, CAS-51481-61-9, B1557, D002927, 2-Cyano-1-methyl-3-[2-(5-methyl-1H-imidazol-4-yl-methylthio)ethyl]guanidine, Tagamet, SKF-92334, Tratul, Tametin, Dyspamet, Acinil, Cimetidine, Guanidina, N-ciano-N'-metil-N''-[2-[[(4-metil-1H-imidazol-5-il) metil] tio] etil]-, Guanidine, N-cyano-N'-methyl-N''-[2- [[(5-methyl-1H-imidazol-4-yl)methyl]thio]ethyl]-, ; N''''''''''''''''-cyano-N-methyl-N''''''''-(2-(((5-methyl-1H-imidazol-4-yl)methyl)thio)-ethyl)guanidine, 270574-63-5, 70059-30-2, Guanidine, N-cyano-N'-Methyl-N''-[2-[[(5-Methyl-1H-iMidazol-4-yl)Methyl]thio]ethyl]-, (Z)-, Guanidine, N-cyano-N'-methyl-N''-[2-[[(5-methyl-1H-imidazol-4-yl)methyl]thio]ethyl]-, [C(Z)]-,

Complexity	296
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	252.116g/mol
Formal Charge	0
Heavy Atom Count	17
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	3
Isotope Atom Count	0
Molecular Weight	252.34g/mol
Monoisotopic Mass	252.116g/mol
Rotatable Bond Count	7
Topological Polar Surface Area	114A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0.4

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H303-H360
Packing Group
Precautionary statements	P202-P405-P501a-P201-P280-P308+P313
UN Code

Certificate of Analysis

Lot Number