MetaNetX
Automated Model Construction and Genome Annotation for Large-Scale Metabolic Networks

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ranitidine

	Properties	Image
MNX_ID	MNXM1372282
reference	chebi:8776
formula	C₁₃H₂₂N₄O₃S
global charge	0
mol weight	314.411
InChIKey	VMXUWOKSQNHOCA-UKTHLTGXSA-N
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+
SMILES	CN/C(=C\[N+](=O)[O-])NCCSCC1=CC=C(CN(C)C)O1

MNX internals

InChI (mnx)	InChI=1/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+
SMILES (mnx)	[CH3:1][NH:14]/[C:13](=[CH:9]\[N+:17]([O-:18])=[O:19])[NH:15][CH2:6][CH2:7][S:21][CH2:10][C:12]1=[CH:5][CH:4]=[C:11]([CH2:8][N:16]([CH3:2])[CH3:3])[O:20]1

Parent-child relations graph

Occurences in reactions	#reac
in my sandbox	0
in MNXref (generic)	0
in models (compartimentalized)	0

Similar chemical compounds in external resources
Identifier	Description
CHEBI:8776 chebi:8776 VMXUWOKSQNHOCA-UKTHLTGXSA-N	ranitidine (E)-N-{2-[({5-[(dimethylamino)methyl]-2-furyl}methyl)sulfanyl]ethyl}-N'-methyl-2-nitroethene-1,1-diamine ranitidina ranitidinum
kegg.drug:D00422 keggD:D00422 VMXUWOKSQNHOCA-UKTHLTGXSA-N	Ranitidine (USAN/INN) Ranitidine (TN)
hmdb:HMDB0001930 VMXUWOKSQNHOCA-UKTHLTGXSA-N	Ranitidine (e)-Ranitidine 2-(Benzhydryloxy)-N,N-dimethylethylamine 2-Diphenylmethoxy-N,N-demthylethanamine 2-Diphenylmethoxy-N,N-dimethylethylamine Achedos Acidex Alledryl Allerdryl Allergan Allergina Atural Axoban Benadryl Bendylate Benhydramin Benylin Benzantin Benzhydramine Biotidin Citrate, diphenhydramine Coralen Curan Difenhidramina Difenhydramine Dimedrol Dimedrolum Dimethylamine benzhydryl ester Diphamine Diphantine Diphenhydramine citrate Diphenhydramine citrate (1:1) Diphenhydramine hydrochloride Diphenhydraminum Diphenylhydramin Diphenylhydramine Dobacen Dormin Duractin Ezopta Gastrial Gastrosedol Hydrochloride, diphenhydramine Hydrochloride, ranitidine Istomar Logast Mauran Microtid N (2-(((5-((Dimethylamino)methyl)-2-furanyl)methyl)thio)ethyl)-n'-methyl-2-nitro-1,1-ethenediamine N-(2-(Diphenylmethoxy)ethyl)-N,N-dimethylamine O-Benzhydryldimethylaminoethanol Ptinolin Quantor Quicran RND Radinat Randin Ranidine Ranin Raniogas Ranisen Raniter Ranitidin Ranitidina Ranitidine (form I and form II) Ranitidine HCL 1/2 type Ranitidine base Ranitidine hydrochloride Ranitidinum Ranitiget Rantacid Rantidine Ratic Raticina Restamin Sampep Sostril Taural Ul-pep Ulceranin Urantac Verlost Vesyca Vizerul Weichilin Weidos Xanidine ZANTAC Zantab Zantadin Zantic a-(2-Dimethylaminoethoxy)diphenylmethane alpha-(2-Dimethylaminoethoxy)diphenylmethane alpha-(2-dimethylaminoethoxy)diphenylmethane b-Dimethylaminoethanol diphenylmethyl ether b-Dimethylaminoethyl benzhydryl ether beta-Dimethylaminoethanol diphenylmethyl ether beta-Dimethylaminoethyl benzhydryl ether beta-dimethylaminoethanol diphenylmethyl ether beta-dimethylaminoethyl benzhydryl ether dimethyl[(5-{[(2-{[(E)-1-(methylamino)-2-nitroethenyl]amino}ethyl)sulfanyl]methyl}furan-2-yl)methyl]amine ranitidine
envipath:...251fb1ceb708 envipathM:...251fb1ceb708 VMXUWOKSQNHOCA-UKTHLTGXSA-N	compound 0039808
hmdb:HMDB0005003 hmdb:HMDB01930 hmdb:HMDB05003 keggD:M_D00422	secondary/obsolete/fantasy identifier