Sincamidine

Base Information

• Chemical Name: Sincamidine
• CAS No.: 59532-50-2
• Molecular Formula: C16H27NO5
• Molecular Weight: 313.3893
• UNII: X7KRY4YZV9
• Nikkaji Number: J1.903.203E
• Wikidata: Q27293647
• Mol file: 59532-50-2.mol

Synonyms:Sincamidine;Epiheliotrine;1-Epiheliotrine;7R-Heliotrine;59532-50-2;X7KRY4YZV9;UNII-X7KRY4YZV9;NSC-30620;[(7R,8R)-7-hydroxy-5,6,7,8-tetrahydro-3H-pyrrolizin-1-yl]methyl (2S)-2-hydroxy-2-[(1R)-1-methoxyethyl]-3-methylbutanoate;[(7R,8S)-7-hydroxy-5,6,7,8-tetrahydro-3H-pyrrolizin-1-yl]methyl (2S)-2-hydroxy-2-[(1R)-1-methoxyethyl]-3-methylbutanoate;Butanoic acid, 2-hydroxy-2-((1R)-1-methoxyethyl)-3-methyl-, ((1R,7aR)-2,3,5,7a-tetrahydro-1-hydroxy-1H-pyrrolizin-7-yl)methyl ester, (2S)-;Butanoic acid, 2-hydroxy-2-(1-methoxyethyl)-3-methyl-, (2,3,5,7a-tetrahydro-1-hydroxy-1H-pyrrolizin-7-yl)methyl ester, (1R-(1alpha,7(S*(R*)),7abeta))-;Q27293647;BUTANOIC ACID, 2-HYDROXY-2-(1-METHOXYETHYL)-3-METHYL-, (2,3,5,7A-TETRAHYDRO-1-HYDROXY-1H-PYRROLIZIN-7-YL)METHYL ESTER, (1R-(1.ALPHA.,7(S*(R*)),7A.BETA.))-

Chemical Property of Sincamidine

Chemical Property:

• Vapor Pressure: 5.13E-10mmHg at 25°C
• Boiling Point: 450.7°Cat760mmHg
• Flash Point: 226.4°C
• Density: 1.19g/cm³
• XLogP3: 0.1
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 7
• Exact Mass: 313.18892296
• Heavy Atom Count: 22
• Complexity: 450

Purity/Quality:

99% ^*data from raw suppliers

7R-Heliotrine ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)C(C(C)OC)(C(=O)OCC1=CCN2C1C(CC2)O)O
• Isomeric SMILES: C[C@H]([C@@](C(C)C)(C(=O)OCC1=CCN2[C@H]1[C@@H](CC2)O)O)OC
• Description: This amorphous hepatotoxic alkaloid is present in Amsinckia intermedia Fisch & Mey. Alkaline hydrolysis gives retronecine and an acid, C8H16/sub>04 , forming colourless needles when crystallized from C6H6/sub> , m.p. 138-9°C; [α]20D + 5.8° (c 0.52, EtOH). Two hydroxyl groups are present in the alkaloid, one in the side chain and the other in the pyrrolizidine ring.