(17S,21-alpha)-10-Bromo-Ajmalan-17,21-diol (R-(R*,R*))-2,3-dihydroxybutanedioate(1:1) (salt)
[CAS# 78744-56-6]

Identification

• Name: (17S,21-alpha)-10-Bromo-Ajmalan-17,21-diol (R-(R*,R*))-2,3-dihydroxybutanedioate(1:1) (salt)
• Synonyms: 10-Bromosandwicine hydrogen tartrate; Ajmalan-17,21-diol, 10-bromo-, (17S,21-α)-, (R-(R*,R*))-2,3-dihydroxybutanedioate(1:1) (salt)
• Molecular Formula: C₂₄H₃₁BrN₂O₈
• Molecular Weight: 555.42
• CAS Registry Number: 78744-56-6
• SMILES: O=C(O)[C@H](O)[C@@H](O)C(=O)O.Brc6cc1c(N([C@@H]5C14[C@@H](O)C3C2C[C@@H]5N([C@H](O)[C@H]2CC)[C@H]3C4)C)cc6
• InChI: 1S/C20H25BrN2O2.C4H6O6/c1-3-10-11-7-14-17-20(12-6-9(21)4-5-13(12)22(17)2)8-15(16(11)18(20)24)23(14)19(10)25;5-1(3(7)8)2(6)4(9)10/h4-6,10-11,14-19,24-25H,3,7-8H2,1-2H3;1-2,5-6H,(H,7,8)(H,9,10)/t10-,11?,14-,15-,16?,17-,18-,19+,20?;1-,2-/m01/s1
• InChIKey: VZJRHEHUVOQEHV-SKEQCEMRSA-N

Properties

• Boiling point: 569.4°C at 760 mmHg (Cal.)
• Flash point: 298.2°C (Cal.)