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CHEBI:7601 - nizatidine

ChEBI IDCHEBI:7601
ChEBI Namenizatidine
Stars
DefinitionA member of the class of 1,3-thiazoles having a dimethylaminomethyl substituent at position 2 and an alkylthiomethyl moiety at position 4.
Last Modified22 February 2017
DownloadsMolfile
FormulaC12H21N5O2S2
Net Charge0
Average Mass331.467
Monoisotopic Mass331.11367
SMILESCNC(=C[N+](=O)[O-])NCCSCc1csc(CN(C)C)n1
InChIInChI=1S/C12H21N5O2S2/c1-13-11(6-17(18)19)14-4-5-20-8-10-9-21-12(15-10)7-16(2)3/h6,9,13-14H,4-5,7-8H2,1-3H3
InChIKeySGXXNSQHWDMGGP-UHFFFAOYSA-N
Wikipedia
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
Biological Roles:
cholinergic drug  Any drug used for its actions on cholinergic systems. Included here are agonists and antagonists, drugs that affect the life cycle of acetylcholine, and drugs that affect the survival of cholinergic neurons.
H2-receptor antagonist  H2-receptor antagonists are the drugs that selectively bind to but do not activate histamine H2 receptors, thereby blocking the actions of endogenous histamine.
Applications:
cholinergic drug  Any drug used for its actions on cholinergic systems. Included here are agonists and antagonists, drugs that affect the life cycle of acetylcholine, and drugs that affect the survival of cholinergic neurons.
anti-ulcer drug  One of various classes of drugs with different action mechanisms used to treat or ameliorate peptic ulcer or irritation of the gastrointestinal tract.
H2-receptor antagonist  H2-receptor antagonists are the drugs that selectively bind to but do not activate histamine H2 receptors, thereby blocking the actions of endogenous histamine.
ChEBI Ontology
Outgoing Relation(s)
nizatidine (CHEBI:7601) has role anti-ulcer drug (CHEBI:49201)
nizatidine (CHEBI:7601) has role cholinergic drug (CHEBI:38323)
nizatidine (CHEBI:7601) has role H2-receptor antagonist (CHEBI:37961)
nizatidine (CHEBI:7601) is a C-nitro compound (CHEBI:35716)
nizatidine (CHEBI:7601) is a 1,3-thiazoles (CHEBI:38418)
nizatidine (CHEBI:7601) is a carboxamidine (CHEBI:35359)
nizatidine (CHEBI:7601) is a organic sulfide (CHEBI:16385)
nizatidine (CHEBI:7601) is a tertiary amino compound (CHEBI:50996)
IUPAC Name 
N-{2-[({2-[(dimethylamino)methyl]-1,3-thiazol-4-yl}methyl)sulfanyl]ethyl}-N'-methyl-2-nitroethene-1,1-diamine
INNs  Source
nizatidineKEGG DRUG
nizatidinaChemIDplus
nizatidinumChemIDplus
nizatidineWHO MedNet
Synonym  Source
N-(4-(6-Methylamino-7-nitro-2-thia-5-aza-6-hepten-1-yl)-2-thiazolylmethyl)-N,N-dimethylamineChemIDplus
Brand Names  Source
AxidKEGG DRUG
AcinonKEGG DRUG
Manual XrefsDatabases
C07270KEGG COMPOUND
D00440KEGG DRUG
DB00585DrugBank
HMDB0014723HMDB
NizatidineWikipedia
LSM-3031LINCS
1955DrugCentral
Registry NumbersSources
Reaxys:4846056Reaxys
CAS:76963-41-2KEGG COMPOUND
CAS:76963-41-2ChemIDplus
Citations