Ajmalanium, 17,21-dihydroxy-4-propyl-, (17R,21α)-, (2R,3R)-2,3-dihydroxybutanedioate (1:1)
CAS Registry Number®
2589-47-1
CAS Name
Ajmalanium, 17,21-dihydroxy-4-propyl-, (17R,21α)-, (2R,3R)-2,3-dihydroxybutanedioate (1:1)Molecular Formula
C23H33N2O2.C4H5O6Cite this Page
Ajmalanium, 17,21-dihydroxy-4-propyl-, (17R,21α)-, (2R,3R)-2,3-dihydroxybutanedioate (1:1). CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. http://commonchemistry.cas.org/detail?cas_rn=2589-47-1 (retrieved ) (CAS RN: 2589-47-1). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).Compound Properties
Melting Point (1)
149-152 °C
Source(s)
- (1) Drugs - Synonyms and Properties data were obtained from Ashgate Publishing Co. (US)
Other Names and Identifiers
InChI
InChI=1S/C23H33N2O2.C4H6O6/c1-4-10-25-17-11-14(13(5-2)22(25)27)19-18(25)12-23(21(19)26)15-8-6-7-9-16(15)24(3)20(17)23;5-1(3(7)8)2(6)4(9)10/h6-9,13-14,17-22,26-27H,4-5,10-12H2,1-3H3;1-2,5-6H,(H,7,8)(H,9,10)/q+1;/p-1/t13-,14-,17-,18-,19-,20-,21?,22+,23+,25-;1-,2-/m01/s1
InChIKey
InChIKey=VZAUGYDMVQSQAO-CJSYADHKSA-M
SMILES
[C@@H]([C@H](C(O)=O)O)(C([O-])=O)O.OC1[C@]23[C@]([C@]4([N@@+]5(CCC)[C@@](C2)([C@@]1([C@@](C4)([C@H](CC)[C@H]5O)[H])[H])[H])[H])(N(C)C=6C3=CC=CC6)[H]
Canonical SMILES
O=C([O-])C(O)C(O)C(=O)O.OC1C2C3CC4C5N(C=6C=CC=CC6C15CC2[N+]4(CCC)C(O)C3CC)C
Other Names for this Substance
- Ajmalanium, 17,21-dihydroxy-4-propyl-, (17R,21α)-, (2R,3R)-2,3-dihydroxybutanedioate (1:1)
- Ajmalanium, 17,21-dihydroxy-4-propyl-, (17R,21α)-, salt with [R-(R*,R*)]-2,3-dihydroxybutanedioic acid (1:1)
- Ajmalanium, 17,21-dihydroxy-4-propyl-, (17R,21α)-, salt with (2R,3R)-2,3-dihydroxybutanedioic acid (1:1)
- 5H-6,10:11,12a-Dimethanoindolo[3,2-b]quinolizine, ajmalanium deriv.
- Butanedioic acid, 2,3-dihydroxy-[R-(R*,R*)]-, ion(1-), (17R,21α)-17,21-dihydroxy-4-propylajmalanium
Deleted or Replaced CAS Registry Numbers
31966-66-2, 540777-85-3
