Alstonidine acetate trihydrate

• CAT Number: I021851
• CAS Number: 25442-92-6
• Molecular Formula: C24H32N2O8
• Molecular Weight: 476.53
• Purity: 98%
• Synonyms: Alstonidine acetate trihydrate, Alstonidine acetyl deriv trihydrate
• Solubility: Soluble in DMSO
• Appearance: Solid powder
• Storage: Dry, dark and at 0 - 4 C for short term (days to weeks) or -20 C for long term (months to years).
• IUPAC Name: methyl (2S,3S,4S)-3-(acetoxymethyl)-2-methyl-4-((9-methyl-9H-pyrido[3,4-b]indol-1-yl)methyl)-3,4-dihydro-2H-pyran-5-carboxylate trihydrate
• InChI: InChI=1S/C24H26N2O5.3H2O/c1-14-19(12-31-15(2)27)18(20(13-30-14)24(28)29-4)11-21-23-17(9-10-25-21)16-7-5-6-8-22(16)26(23)3;;;/h5-10,13-14,18-19H,11-12H2,1-4H3;3*1H2/t14-,18-,19-;;;/m0.../s1
• InChIKey: MCGHEKJRLIEUIK-HDTQAHQWSA-N
• SMILES: O=C(C1=CO[C@@H](C)[C@H](COC(C)=O)[C@@H]1CC2=NC=CC3=C2N(C)C4=C3C=CC=C4)OC.[H]O[H].[H]O[H].[H]O[H]

Alstonidine acetate trihydrate is a biochemical.

Reference

1: BOAZ H, ELDERFIELD RC, SCHENKER E. Alstonia alkaloids. VII. The structure of alstonidine. J Am Pharm Assoc Am Pharm Assoc. 1957 Aug;46(8):510-2. PubMed PMID: 13491437.
2: VAN CAMP A, ROSE HA. A note on the crystallography of alstonidine. J Am Pharm Assoc Am Pharm Assoc. 1957 Aug;46(8):508-9. PubMed PMID: 13491436.