Cimetidine

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Systematic / IUPAC Name: 2-Cyano-1-methyl-3-(2-{[(5-methyl-1H-imidazol-4-yl)methyl]sulfanyl}ethyl)guanidine

ID: Reference1776

Other Names: Acibilin;
Acinil;
Acitak;
Altramet;
Azucimet ; more

Formula: C10H16N6S

Class: Therapeutics/Prescription Drugs

Spectral Data

Cimetidine mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.

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Available MS Data

Used Instruments Q Exactive Orbitrap; Q Exactive Plus Orbitrap
No. of Spectral Trees 4
No. of Spectra 252
Tandem Spectra MS1, MS2
Ionization Methods ESI
Analyzers FT
Last Modification 2/13/2017 1:32:21 PM
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Identificators

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
Canonical SMILES CC1=C(N=CN1)CSCCNC(=NC)NC#N
CAS 2984614
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Other Names Acibilin;
Acinil;
Acitak;
Altramet;
Azucimet;
Cedine;
Cimagen;
Cimal;
Cime;
Cimeldine;
Cimetadine;
Cimetag;
Cimetimax;
Cimetum;
Dyspamet;
Edalene;
Eureceptor;
Galenamet;
Gastromet;
Histodil;
Magicul;
Metracin;
Neutromed;
Neutronorm;
Peptimax;
Peptol;
Phimetin;
Sigmetadine;
Tagamet;
Tametin;
Tratul;
Ulcedin;
Ulcedine;
Ulcerfen;
Ulcimet;
Ulcofalk;
Ulcomedina;
Ulcomet;
Ulcometin;
Ulcostad;
Ulhys;
Ultek;
Valmagen;
Venopex;
Zita;
(Z)-2-Cyano-1-methyl-3-{2-[(5-methyl-1H-imidazol-4-yl)methylthio]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)methyl]thio}ethyl)guanidine;
2-Cyano-1-methyl-3-[2-(5-methyl-1H-imidazol-4-yl-methylthio)ethyl]guanidine

In Other Databases

ChEMBL CHEMBL30
HMDb HMDB14644
KEGG D00295; C06952
PubChem 2756
Wikipedia Cimetidine
ChemIDPlus 051481619
ChEBI CHEBI:3699
DrugBank APRD00568
ChemSpider 2654