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Substance Name: Tetrahydroalstonine
RN: 6474-90-4
InChIKey: GRTOGORTSDXSFK-DLLGKBFGSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C21-H24-N2-O3

Molecular Weight

  • 352.432
 
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Names and Synonyms

Name of Substance

  • Tetrahydroalstonine

Synonyms

  • 4-27-00-07926 (Beilstein Handbook Reference)
  • Alstonine, 3,4,5,6-tetrahydro-
  • Alstonine, 3,4,5,6-tetrahydro-, (3alpha)-
  • Alstonine, tetrahydro-
  • BRN 0097270
  • EINECS 229-331-0
  • NSC 72115
  • Tetrahydroalstonine

Systematic Names

  • Alstonine, 3,4,5,6-tetrahydro- (8CI)
  • Methyl (19alpha,20alpha)-16,17-didehydro-19-methyloxayohimban-16-carboxylate
  • Oxayohimban-16-carboxylic acid, 16,17-didehydro-19-methyl-, methyl ester, (19-alpha,20-alpha)-

Registry Numbers

CAS Registry Number

  • 6474-90-4

System Generated Number

  • 0006474904

Structure Descriptors

InChI

1S/C21H24N2O3/c1-12-16-10-23-8-7-14-13-5-3-4-6-18(13)22-20(14)19(23)9-15(16)17(11-26-12)21(24)25-2/h3-6,11-12,15-16,19,22H,7-10H2,1-2H3/t12-,15-,16-,19-/m0/s1

InChIKey

GRTOGORTSDXSFK-DLLGKBFGSA-N

Smiles

c12c(c3ccccc3[nH]1)CC[N@@]1[C@H]2C[C@@H]2C(=CO[C@H]([C@H]2C1)C)C(=O)OC

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD oral > 3gm/kg (3000mg/kg)   United States Patent Document. Vol. #3969521,