AG0035KB

66357-35-5 | {2-[({5-[(dimethylamino)methyl]furan-2-yl}methyl)sulfanyl]ethyl}[(E)-1-(methylamino)-2-nitroethenyl]amine

AG0035KB

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CAS Number	66357-35-5
Catalog Number	AG0035KB(AGN-PC-0TKEY1)
Chemical Name	{2-[({5-[(dimethylamino)methyl]furan-2-yl}methyl)sulfanyl]ethyl}[(E)-1-(methylamino)-2-nitroethenyl]amine
EC Number	266-332-5
IUPAC Name	(E)-1-N'-[2-[[5-[(dimethylamino)methyl]furan-2-yl]methylsulfanyl]ethyl]-1-N-methyl-2-nitroethene-1,1-diamine
InChI	InChI=1S/C13H22N4O3S/c1-14-13(9-17(18)19)15-6-7-21-10-12-5-4-11(20-12)8-16(2)3/h4-5,9,14-15H,6-8,10H2,1-3H3/b13-9+
InChI Key	VMXUWOKSQNHOCA-UKTHLTGXSA-N
MDL Number	MFCD00081180
Molecular Formula	C13H22N4O3S
Molecular Weight	314.4038
NSC Number	757851
SMILES	O=[N+](/C=C(NC)/NCCSCC1=CC=C(CN(C)C)O1)[O-]
Synonyms	AH 19065, AH-19065, AH19065, Biotidin, Hydrochloride, Ranitidine, N (2-(((5-((Dimethylamino)methyl)-2-furanyl)methyl)thio)ethyl)-N'-methyl-2-nitro-1,1-ethenediamine, Ranisen, Ranitidin, Ranitidine, Ranitidine Hydrochloride, Sostril, Zantac, Zantic, ranitidine, 66357-35-5, Raticina, ZANTAC, Gastrosedol, Coralen, Microtid, Ptinolin, Quantor, Ranidine, Raniogas, Ranisen, Ranitidin, Ranitiget, Rantacid, Taural, Duractin, Ranitidina, Ranitidinum, Ulceranin, Weichilin, Xanidine, Zantadin, Achedos, Acidex, Atural, Axoban, Ezopta, Gastrial, Istomar, Logast, Mauran, Quicran, Radinat, Randin, Raniter, Sampep, Sostril, Urantac, Verlost, Vesyca, Vizerul, Weidos, Zantab, Zantic, Ranin, Ratic, Ul-Pep, Rantidine, Ranitidine HCL, Ranitidine Base, Ranitidinum [INN-Latin], Ranitidina [INN-Spanish], Ranitidine [USAN:BAN:INN], Gastridina, Fendibina, Gastrolav, Kuracid, Raniben, Raniberl, Ranibloc, Ranitin, Alquen, CHEBI:8776, Rani-nerton, C13H22N4O3S, HSDB 3925, Nu-Ranit, Rani-Q, Zantac (TN), CHEMBL512, 1,1-Ethenediamine, N-(2-(((5-((dimethylamino)methyl)-2-furanyl)methyl)thio)ethyl)-N'-methyl-2-nitro-, VMXUWOKSQNHOCA-UKTHLTGXSA-N, ranic, Digestosan, Serviradine, AH-19065, Alvidina, Artomil, Azuranit, Mideran, Noktome, Quadrin, Raniberta, Ranicux, Ranidil, Ranidin, Ranidura, Ranigasan, Ranigast, Ranigen, Ranilonga, Ranimerck, Ranisan, Ranitab, Ranitic, Ranitine, Ranobel, Ranuber, Regalil, Renatac, Rubiulcer, Santanol, Tanidina, Ulcecur, Ulcirex, Ulcodin, Ulsaven, Viserul, Zantarac, Esofex, Neugal, Normon, Toriol, Zandid, Ergan, Label, Logat, Radin, Rozon, Lake, Rani-Sanorania, Ranifur, Ranitidin Atid, Ranitidin Dyna, Ranitidin Hexal, Ranitidin Merck, Ranitidin Stada, Ranitidin-Isis, Apo-Ranitidin, Novo-Radinine, Ulcolind Rani, Rani-Puren, Ranitidin Arcana, Ranitidin Basics, Ranitidin Duncan, Ranitidin Millet, Ranitidin Normon, Ranitidin-Cophar, Ranitidin AL, Ranitidin NM, Ranitidin PB, Ranitidin AWD, Ranitidin von ct, Pep-Rani, Ran Lich, Ranitidin Heumann, NCGC00015876-07, Biotidin, Rani AbZ, Ranitidina Tamarang, Rani-BASF, Ranitidin-ratiopharm, Alter-H2, Ranitidin Helvepharm, Zantac 75, Rani 2, Ranitidin 1A Pharma, Zantac 150, DSSTox_CID_25191, DSSTox_RID_80738, N-(2-((5-((Dimethylamino)methyl)furfuryl)thio)ethyl)-N'-methyl-2-nitro-1,1-ethenediamine, DSSTox_GSID_45191, Ran H2, 1,1-Ethenediamine, N-[2-[[[5-[(dimethylamino)methyl]-2-furanyl]methyl]thio]ethyl]-N'-methyl-2-nitro-, Ranitidina predilu Grif, Raniplex, Terposen, Ultidine, Ulcex, Zantac In Plastic Container, EINECS 266-332-5, RND, Ranitidine (TN), ({5-[(2-{[(1E)-1-(methylamino)-2-nitrovinyl]amino}ethylthio)methyl](2-furyl)}m ethyl)dimethylamine, dimethyl[(5-{[(2-{[(E)-1-(methylamino)-2-nitroethenyl]amino}ethyl)sulfanyl]methyl}furan-2-yl)methyl]amine, N'-[2-[[5-(Dimethylaminomethyl)-2-furyl]methylsulfanyl]ethyl]-N-methyl-2-nitro-ethene-1,1-diamine hydrochloride, CAS-66357-35-5, RAN, Ranitidine (USAN/INN), Gavilast, ranitidine.hcl, SR-01000075288, N-[2-[[5-[(Dimethylamino)methyl]furfuryl]thio]ethyl]-N'-methyl-2-nitro-1,1-ethenediamine, (E)-N-(2-(((5-((Dimethylamino)methyl)furan-2-yl)methyl)thio)ethyl)-N-methyl-2-nitroethene-1,1-diamine, AC1MHDJB, Tocris-1967, Lopac-R-101, AC1Q1WQX, Prestwick2_000201, Spectrum5_001189, Epitope ID:127515, Ranitidine HCL 1/2 Type, Lopac0_001073, N (2-(((5-((Dimethylamino)methyl)-2-furanyl)methyl)thio)ethyl)-N'-methyl-2-nitro-1,1-ethenediamine, BIDD:GT0179, SPECTRUM1501151, GTPL1234, BDBM22893, CHEBI:92246, HMS501F22, BDBM237183, HMS1921L07, HMS2092H15, Pharmakon1600-01501151, Ranitidine (Form I And Form Ii), BCP21325, ZINC1530728, Tox21_110250, Tox21_302372, CCG-39025, MFCD00081180, NSC757851, SBB006527, STK619092, AKOS005552967, Tox21_110250_1, API0004039, DB00863, KS-5230, NSC-757851, IDI1_000440, NCGC00015876-01, NCGC00015876-02, NCGC00015876-03, NCGC00015876-04, NCGC00015876-05, NCGC00015876-06, NCGC00015876-08, NCGC00015876-09, NCGC00015876-11, NCGC00018108-01, NCGC00018108-02, NCGC00018108-03, NCGC00024387-02, NCGC00094913-01, NCGC00094913-02, NCGC00094913-03, NCGC00094913-04, NCGC00094913-05, NCGC00256269-01, (E)-1-N'-[2-[[5-(dimethylaminomethyl)furan-2-yl]methylsulfanyl]ethyl]-1-N-methyl-2-nitroethene-1,1-diamine, (E)-N-{2-[({5-[(dimethylamino)methyl]-2-furyl}methyl)sulfanyl]ethyl}-N'-methyl-2-nitroethene-1,1-diamine, (E)-N-{2-[({5-[(dimethylamino)methyl]furan-2-yl}methyl)sulfanyl]ethyl}-N'-methyl-2-nitroethene-1,1-diamine, AC-12712, LS-67645, SC-45877, ST050299, SBI-0051043.P003, AB1009310, CAS-66357-59-3, D00422, J10378, AB00052223-10, AB00052223_11, AB00052223_12, 357R355, A835434, L000504, I09-0405, SR-01000075288-3, BRD-K70505054-001-02-9, N-[2-[[5-[(Dimethylamino)methyl]furfuryl]thio]ethyl]-N'-methyl-2-nitro-1,1-ethylenediamine, (E)-N-(2-((5-((dimethylamino)methyl)furan-2-yl)methylthio)ethyl)-N-methyl-2-nitroethene-1,1-diamine, (E)-N1'-[2-[[5-(dimethylaminomethyl)-2-furyl]methylsulfanyl]ethyl]-N1-methyl-2-nitro-ethene-1,1-diamine, (E)-N1'-[2-[[5-[(dimethylamino)methyl]-2-furanyl]methylthio]ethyl]-N1-methyl-2-nitroethene-1,1-diamine, (E)-N1'-[2-[[5-[(dimethylamino)methyl]furan-2-yl]methylsulfanyl]ethyl]-N1-methyl-2-nitro-ethene-1,1-diamine, 1,1-Ethenediamine, N-[2-[[[5-[(dimethylamino)methyl]-2-furanyl]methyl]thio]ethyl]-N'-methyl-2-nitro-, (E)-, N-[(E)-1-(Methylamino)-2-nitroethenyl]-2-[[[2-[(dimethylamino)methyl]-5-furanyl]methyl]thio]ethanamine, n-[2-[[[5-[(dimethylamino)methyl]-2-furanyl]methyl]thio]ethyl]-n'-methyl-2-nitro-1,1-ethenediamine, N-[2-[[5-(dimethylaminomethyl)furan-2-yl]methylsulfanyl]ethyl]-N'-methyl-2-nitroethene-1,1-diamine, N1'-[2-[[5-[(dimethylamino)methyl]-2-furanyl]methylthio]ethyl]-N1-methyl-2-nitroethene-1,1-diamine, Curan, ranitidine hydrochloride, Noctone, Melfax, zenetac, Rantidine HCL, Midaven, Trigger, Acid reducer, Major ranitidine, Ranitidinehydrochloride, Up and up acod redicer, Topcare jeartburn relief, Hydrochloride, Ranitidine, D0B8WN, C19H38O6S.Na, Ranitidine [USAN:INN:BAN], UNII-884KT10YB7, C19-H38-O6-S.Na, KST-1B7387, EINECS 268-479-0, AR-1B4779, C13-H22-N4-O3-S, Methyl oleate, sulfated, sodium salt, AH19065, CID3001055, CS-O-02275, GR-122311X, AH 19065, Sodium methyl 9(or 10)-(sulfooxy)stearate, EC 266-332-5, Dimethylaminomethylfurylmethylthioethyl Ranitidine, D011899, Sodium 1-methyl 9(or 10)-(sulphonatooxy)octadecanoate, 68109-63-7, 66357-59-3, 71130-06-8, Octadecanoic acid, 9(or 10)-(sulfooxy)-, 1-methyl ester, sodium salt, Octadecanoic acid, 9(or 10)-(sulfooxy)-, 1-methyl ester, sodium salt (1:1), 1,1-Etanodiamino, N-[2-[[[5-[(dimetilamino) metil]-2-furanil]metil] tio] etil]-N'-metil-2-nitro-, 72126-78-4,

Complexity	347
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	1
Exact Mass	314.141g/mol
Formal Charge	0
Heavy Atom Count	21
Hydrogen Bond Acceptor Count	7
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	314.404g/mol
Monoisotopic Mass	314.141g/mol
Rotatable Bond Count	9
Topological Polar Surface Area	112A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0.3

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	6.1
Hazard statements	H302-H315-H317-H319-H334-H335
Packing Group	Ⅲ
Precautionary statements	P261-P280-P305+P351+P338-P342+P311
UN Code	UN 2811

Certificate of Analysis

Lot Number