Oxayohimban-16-carboxylic acid, 16,17-didehydro-10,11-dimethoxy-19-methyl-, methyl ester, (3β,19α,20α)-, mono-3-pyridinecarboxylate

CAS Registry Number®

21086-99-7

CAS Name

Oxayohimban-16-carboxylic acid, 16,17-didehydro-10,11-dimethoxy-19-methyl-, methyl ester, (3β,19α,20α)-, mono-3-pyridinecarboxylate

Molecular Formula

C23H28N2O5.C6H5NO2

Cite this Page

Oxayohimban-16-carboxylic acid, 16,17-didehydro-10,11-dimethoxy-19-methyl-, methyl ester, (3β,19α,20α)-, mono-3-pyridinecarboxylate.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=21086-99-7 (retrieved 2024-11-22) (CAS RN: 21086-99-7).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C23H28N2O5.C6H5NO2/c1-12-16-10-25-6-5-13-15-8-20(27-2)21(28-3)9-18(15)24-22(13)19(25)7-14(16)17(11-30-12)23(26)29-4;8-6(9)5-2-1-3-7-4-5/h8-9,11-12,14,16,19,24H,5-7,10H2,1-4H3;1-4H,(H,8,9)/t12-,14-,16-,19+;/m0./s1

InChIKey

InChIKey=PMRBSLJZTOLGHS-QMFIGXPHSA-N

SMILES

C(OC)(=O)C=1[C@]2(C[C@@]3(C4=C(C=5C(N4)=CC(OC)=C(OC)C5)CCN3C[C@]2([C@H](C)OC1)[H])[H])[H].C(O)(=O)C=1C=CC=NC1

Canonical SMILES

O=C(O)C=1C=NC=CC1.O=C(OC)C1=COC(C)C2CN3CCC=4C=5C=C(OC)C(OC)=CC5NC4C3CC12

Other Names for this Substance

  • Oxayohimban-16-carboxylic acid, 16,17-didehydro-10,11-dimethoxy-19-methyl-, methyl ester, (3β,19α,20α)-, mono-3-pyridinecarboxylate
  • Nicotinic acid, compd. with reserpiline (1:1)
  • 4H-Indolo[2,3-a]pyrano[3,4-g]quinolizine, oxayohimban-16-carboxylic acid deriv.
  • 3-Pyridinecarboxylic acid, (3β,19α,20α)-16,17-didehydro-10,11-dimethoxy-19-methyloxayohimban-16-carboxylate
  • Reserpiline mononicotinate

View All

CAS INSIGHTSTM
Hourglass and a clock