Ajmalan-17,21-diol, 17-(chloroacetate), hydrochloride, (17R,21α)-
CAS Registry Number®
31081-68-2
No image available.
CAS Name
Ajmalan-17,21-diol, 17-(chloroacetate), hydrochloride, (17R,21α)-Molecular Formula
C22H27ClN2O3.xClHCite this Page
Ajmalan-17,21-diol, 17-(chloroacetate), hydrochloride, (17R,21α)-. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. http://commonchemistry.cas.org/detail?cas_rn=31081-68-2 (retrieved ) (CAS RN: 31081-68-2). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).Other Names and Identifiers
InChI
InChI=1S/C22H27ClN2O3.ClH/c1-3-11-12-8-15-19-22(13-6-4-5-7-14(13)24(19)2)9-16(25(15)21(11)27)18(12)20(22)28-17(26)10-23;/h4-7,11-12,15-16,18-21,27H,3,8-10H2,1-2H3;1H/t11-,12-,15-,16-,18-,19-,20?,21+,22+;/m0./s1
InChIKey
InChIKey=HNUSYDFQYYRIHJ-PCMNFNTISA-N
SMILES
O(C(CCl)=O)C1[C@]23[C@]([C@]4(N5[C@@](C2)([C@@]1([C@@](C4)([C@H](CC)[C@H]5O)[H])[H])[H])[H])(N(C)C=6C3=CC=CC6)[H].Cl
Canonical SMILES
Cl.O=C(OC1C2C3N4C(O)C(CC)C2CC4C5N(C=6C=CC=CC6C15C3)C)CCl
Other Names for this Substance
- Ajmalan-17,21-diol, 17-(chloroacetate), hydrochloride, (17R,21α)-
- Ajmaline, 17-(chloroacetate), hydrochloride
- 5H-6,10:11,12a-Dimethanoindolo[3,2-b]quinolizine, ajmalan-17,21-diol deriv.
- 17-(Chloroacetyl)ajmaline hydrochloride
