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Substance Name: Ajmalanium, 17,21-dihydroxy-4-(3-ethoxy-2-hydroxypropyl)-, (17R,21-alpha)-
RN: 58892-90-3
InChIKey: WSGGXOYZBAZKQO-SQRYPUJASA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C25-H37-N2-O4

Molecular Weight

  • 429.5773
 
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Names and Synonyms

Synonyms

  • (17R,21-alpha)-17,21-Dihydroxy-4-(3-ethoxy-2-hydroxypropyl)ajmalanium
  • BRN 4164788

Systematic Name

  • Ajmalanium, 17,21-dihydroxy-4-(3-ethoxy-2-hydroxypropyl)-, (17R,21-alpha)-

Registry Numbers

CAS Registry Number

  • 58892-90-3

System Generated Number

  • 0058892903

Structure Descriptors

InChI

1S/C25H37N2O4/c1-4-15-16-10-19-22-25(17-8-6-7-9-18(17)26(22)3)11-20(21(16)23(25)29)27(19,24(15)30)12-14(28)13-31-5-2/h6-9,14-16,19-24,28-30H,4-5,10-13H2,1-3H3/q+1/t14?,15-,16?,19-,20-,21?,22-,23+,24+,25?,27?/m0/s1

InChIKey

WSGGXOYZBAZKQO-SQRYPUJASA-N

Smiles

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

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rat LD50 intravenous 2900ug/kg (2.9mg/kg) CARDIAC: OTHER CHANGES Pharmazie. Vol. 31, Pg. 36, 1976.