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CAS No 497-30-3 , 1H-Imidazole-4-ethanaminium,a-carboxy-2,3-dihydro-N,N,N-trimethyl-2-thioxo-,inner salt, (aS)- Search by region : France

  • Name: 1H-Imidazole-4-ethanaminium,a-carboxy-2,3-dihydro-N,N,N-trimethyl-2-thioxo-,inner salt, (aS)-
  • Synonyms: Thioneine;1H-Imidazole-4-ethanaminium,a-carboxy-2,3-dihydro-N,N,N-trimethyl-2-thioxo-,inner salt, (aS)-; Histidine, 2-mercapto-, trimethylbetaine;1H-Imidazole-4-ethanaminium,a-carboxy-2,3-dihydro-N,N,N-trimethyl-2-thioxo-,hydroxide, inner salt, (S)-;Histidine, 2-mercapto-N,N-dimethyl-, betaine; Sympectothion; 2-Mercapto-N,N-dimethylhistidine methyl ester betaine;Ergothioneine; Ammonium,[1-carboxy-2-(2-mercaptoimidazol-4-yl)ethyl]trimethyl-, hydroxide, inner salt,L-(+)- (8CI);2-Mercaptohistidine betaine; NSC 7175; L-Ergothioneine;Thiasine; 1H-Imidazole-4-ethanaminium, a-carboxy-2,3-dihydro-N,N,N-trimethyl-2-thioxo-, innersalt, (S)-; thiotaine; Ergothionine; 2-Mercaptohistidine trimethylbetaine; Thiotane;
  • CAS Registry Number:
  • Flash Point: °C
  • Boiling Point: °Cat760mmHg
  • Density: g/cm3
  • Safety Statements: WGK Germany 3
  • Flash Point: °C
  • EINECS: 207-843-5
  • Molecular Weight: 229.3
  • InChI: InChI=1/C9H15N3O2S/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)/t7-/m0/s1
  • Molecular Formula: C9H15N3O2S
  • Molecular Structure:CAS No:497-30-3 1H-Imidazole-4-ethanaminium,a-carboxy-2,3-dihydro-N,N,N-trimethyl-2-thioxo-,inner salt, (aS)-

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497-30-3 L-(+)-Ergothioneine

  • L-(+)-ErgothioneineThioneineThiolhistidine betaine2-Mercaptohistidine trimethylbetaine
  • France Tetrahedron [Manufacturer]
  • Tel: +33 141 837 500
  • Fax: +33 141 837 508
  • Address: 4bis allee Charles V94300 VincennesFRANCE Vincennes,nullFrance
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497-30-3 L-ERGOTHIONEINE

  • France TETRAHEDRON SAS [Manufacturer]
  • Tel: +33 1 41 83 75 00
  • Fax: +33 1 41 83 75 08
  • Address: TETRAHEDRON SAS
    4 bis all?e Charles V
    94300 Vincennes
    FRANCE null,nullFrance
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497-30-3 1H-Imidazole-4-ethanaminium,a-carboxy-2,3-dihydro-N,N,N-trimethyl-2-thioxo-,inner salt, (aS)-

  • France Tetrahedron [Other]
  • Tel: +33141837500
  • Fax: +33141837508
  • Address: Parc Biocitech, 102 av. Gaston Roussel Romainville,FranceFrance
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References of 1H-Imidazole-4-ethanaminium,a-carboxy-2,3-dihydro-N,N,N-trimethyl-2-thioxo-,inner salt, (aS)-
Title: Ergothioneine
CAS Registry Number: 497-30-3
CAS Name: (aS)-a-Carboxy-2,3-dihydro-N,N,N-trimethyl-2-thioxo-1H-imidazole-4-ethanaminium inner salt
Synonyms: [1-carboxy-2-[2-mercaptoimidazol-4-yl]ethyl]trimethylammonium hydroxide inner salt; L(+)-ergothioneine; thioneine; thiolhistidine-betaine; thiasine; sympectothion
Molecular Formula: C9H15N3O2S
Molecular Weight: 229.30
Percent Composition: C 47.14%, H 6.59%, N 18.33%, O 13.95%, S 13.98%
Literature References: First discovered in the sclerotia of the ergot fungus, Claviceps purpurea, by Tanret, J. Pharm. Chim. 30, 145 (1909). Has since been found to occur in blood, semen and various mammalian tissues, principally liver and kidneys. Biosynthesis from histidine by Claviceps purpurea cultures: Heath, Wildy, Nature 179, 196 (1957); also produced by Neurospora crassa: Melville et al., Fed. Proc. 15, 314 (1956). Chemical synthesis: Heath et al., J. Chem. Soc. 1951, 2215. Occurrence in the Linulus polyphemus L. (king crab): Ackermann, List, Z. Physiol. Chem. 313, 30 (1958). Review: Melville, Vitam. Horm. 17, 155 (1959).
 
Derivative Type: Dihydrate
Properties: Needles or leaflets from dil ethanol, dec 256-257°. [a]D20 +116.5°; [a]D27 +115° (H2O). uv max (water): 258 nm (e 16000). One gram dissolves in 5 ml at 25°, much more sol in hot water. Slightly sol in hot methanol, hot ethanol, acetone. Practically insol in ether, chloroform, benzene.
Optical Rotation: [a]D20 +116.5°; [a]D27 +115° (H2O)
Absorption maximum: uv max (water): 258 nm (e 16000)