Skip Navigation
ChemIDplus A TOXNET DATABASE LiteBrowseAdvanced

Substance Name: Ajmalan-17,21-diol, 4-oxide, (17R,21-alpha)-
RN: 68622-80-0
InChIKey: PTVVENUAISCPLQ-SPHUJYHJSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C20-H26-N2-O3

Molecular Weight

  • 342.4364
 
* denotes mobile formatted website

Links to Resources

NLM Resources (File Locators)

Other Resources (Internet Locators)


Search for this InChIKey on the Web

Names and Synonyms

Synonyms

  • Ajmaline N-oxide
  • N-Oxyajmaline

Systematic Name

  • Ajmalan-17,21-diol, 4-oxide, (17R,21-alpha)-

Registry Numbers

CAS Registry Number

  • 68622-80-0

System Generated Number

  • 0068622800

Structure Descriptors

InChI

1S/C20H26N2O3/c1-3-10-11-8-14-17-20(12-6-4-5-7-13(12)21(17)2)9-15(16(11)18(20)23)22(14,25)19(10)24/h4-7,10-11,14-19,23-24H,3,8-9H2,1-2H3/t10-,11?,14-,15-,16?,17-,18+,19+,20?,22?/m0/s1

InChIKey

PTVVENUAISCPLQ-SPHUJYHJSA-N

Smiles

CC[C@@H]1[C@H](N2(=O)[C@H]3CC1C4[C@@H]2CC5([C@H]3N(c6c5cccc6)C)[C@@H]4O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral > 3400mg/kg (3400mg/kg)   United States Patent Document. Vol. #4148898,
rat LDLo intravenous 476mg/kg (476mg/kg)   United States Patent Document. Vol. #4148898,