N-Cyano-N'-[2-[[(5-methyl-1H-imidazol-4-yl)methyl]thio]ethyl]carbamimidic acid methyl ester

N-Cyano-N'-[2-[[(5-methyl-1H-imidazol-4-yl)methyl]thio]ethyl]carbamimidic acid methyl ester Structure
CAS No.
138035-55-9
Chemical Name:
N-Cyano-N'-[2-[[(5-methyl-1H-imidazol-4-yl)methyl]thio]ethyl]carbamimidic acid methyl ester
Synonyms
Cimetidine EP IMP B;Cimetidine impurity B;Cimetidine EP Impurity;Cimetidine EP Impurity B;Cimetidine Impurity B(EP);Cimetidine Methoxy Analog;Cimetidine Hydrochloride EP Impurity B;Cimetidine Impurity 2(Cimetidine EP Impurity B);3-Cyano-2-methyl-1-[2-[[(5-methyl-1H-imidazol-4-yl)methyl]sulphanyl]ethyl]isourea;Methyl 3-cyano-1-[2-[[(5-methyl-1H-imidazol-4-yl)methyl]sulfanyl]ethyl]-carbamimidate
CBNumber:
CB62717380
Molecular Formula:
C10H15N5OS
Molecular Weight:
253.32
MOL File:
138035-55-9.mol
Modify Date:
2023/5/15 10:43:51

N-Cyano-N'-[2-[[(5-methyl-1H-imidazol-4-yl)methyl]thio]ethyl]carbamimidic acid methyl ester Properties

Melting point >139°C (dec.)
Boiling point 459.1±55.0 °C(Predicted)
Density 1.26±0.1 g/cm3(Predicted)
storage temp. Hygroscopic, -20°C Freezer, Under inert atmosphere
solubility DMSO (Slightly), Methanol (Slightly)
pka 14.11±0.10(Predicted)
form Solid
color White to Off-White
Stability Hygroscopic

N-Cyano-N'-[2-[[(5-methyl-1H-imidazol-4-yl)methyl]thio]ethyl]carbamimidic acid methyl ester Chemical Properties,Uses,Production

Uses

N-?Cyano-?N''-?[2-?[[(5-?methyl-?1H-?imidazol-?4-?yl)?methyl]?thio]?ethyl]?-carbamimidic Acid Methyl Ester which is an impurity of Cimetidine (C441650), which acts as a competitive histamine H2-receptor antagonist which inhibits gastric acid secretion and reduces pepsin output (1).

N-Cyano-N'-[2-[[(5-methyl-1H-imidazol-4-yl)methyl]thio]ethyl]carbamimidic acid methyl ester Preparation Products And Raw materials

Raw materials

Preparation Products

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N-Cyano-N'-[2-[[(5-methyl-1H-imidazol-4-yl)methyl]thio]ethyl]carbamimidic acid methyl ester Methyl 3-cyano-1-[2-[[(5-methyl-1H-imidazol-4-yl)methyl]sulfanyl]ethyl]-carbamimidate Cimetidine impurity B Cimetidine EP Impurity B Cimetidine Impurity B(EP) Cimetidine Impurity 2(Cimetidine EP Impurity B) Cimetidine EP IMP B Cimetidine impurity 2/Cimetidine EP Impurity B/Cimetidine Methoxy Analog/Methyl 3-cyano-1-[2-[[(5-methyl-1H-imidazol-4-yl)methyl]sulfanyl]ethyl]-carbamimidate Carbamimidic acid, N-cyano-N'-[2-[[(5-methyl-1H-imidazol-4-yl)methyl]thio]ethyl]-, methyl ester (9CI) Cimetidine Methoxy Analog N-Cyano-N′-[2-[[(5-methyl-1H-imidazol-4-yl)methyl]thio]ethyl]-,Carbamimidic acid methyl ester (Cimetidine Impurity) Cimetidine Hydrochloride EP Impurity B Cimetidine EP Impurity 3-Cyano-2-methyl-1-[2-[[(5-methyl-1H-imidazol-4-yl)methyl]sulphanyl]ethyl]isourea 138035-55-9 C10H15N5OS