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Substance Name: Ajmalanium, 17,21-dihydroxy-4-(2-hydroxy-3-propoxypropyl)-, (17R,21-alpha)-
RN: 58892-91-4
InChIKey: NBVOTHSQFXPNLY-MGKSFGKBSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C26-H39-N2-O4

Molecular Weight

  • 443.6041
 
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Names and Synonyms

Synonyms

  • (17R,21-alpha)-17,21-Dihydroxy-4-(2-hydroxy-3-propoxypropyl)ajmalanium
  • BRN 4037614

Systematic Name

  • Ajmalanium, 17,21-dihydroxy-4-(2-hydroxy-3-propoxypropyl)-, (17R,21-alpha)-

Registry Numbers

CAS Registry Number

  • 58892-91-4

System Generated Number

  • 0058892914

Structure Descriptors

InChI

1S/C26H39N2O4/c1-4-10-32-14-15(29)13-28-20-11-17(16(5-2)25(28)31)22-21(28)12-26(24(22)30)18-8-6-7-9-19(18)27(3)23(20)26/h6-9,15-17,20-25,29-31H,4-5,10-14H2,1-3H3/q+1/t15?,16-,17?,20-,21-,22?,23-,24+,25+,26?,28?/m0/s1

InChIKey

NBVOTHSQFXPNLY-MGKSFGKBSA-N

Smiles

CCCOCC(C[N+]12[C@H]3CC([C@@H]([C@H]1O)CC)C4[C@@H]2CC5([C@H]3N(c6c5cccc6)C)[C@@H]4O)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.