SpectraBase Spectrum ID |
81e57RoeXb6 |
Name |
L-(+)-[1-CARBOXY-2-(2-MERCAPTOIMIDAZOL-4-YL)ETHYL]TRIMETHYLAMMONIUM HYDROXIDE,INNER SALT, MONOHYDROCHLORIDE, DIHYDRATE |
Source of Sample |
Aldrich Chemical Company, Inc., Milwaukee, Wisconsin |
Copyright |
Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved. |
Formula |
C9H15N3O2S HCl 2H2O |
InChI |
InChI=1S/C9H15N3O2S.ClH.2H2O/c1-12(2,3)7(8(13)14)4-6-5-10-9(15)11-6;;;/h5,7H,4H2,1-3H3,(H2-,10,11,13,14,15);1H;2*1H2 |
InChIKey |
KOELBNAURLPTFS-UHFFFAOYSA-N |
Melting Point |
204C (dec.) |
Molecular Weight |
301.79 |
Solvent |
Deuterium oxide/NaOD; Reference=Dioxane Spectrometer= Varian CFT-20 |
Synonyms |
ERGOTHIONEINE, MONOHYDROCHLORIDE, DIHYDRATE, L-/plus/-,
AMMONIUM HYDROXIDE, /1-CARBOXY- 2-/2-MERCAPTOIMIDAZOL-4-YL/ETHYL/TRIMETHYL-, INNER SALT, MONOHYDROCHLORIDE DIHYDRATE, L-/plus/-, |