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Substance Name: Ajmalanium, 17,21-dihydroxy-4-(2-hydroxy-3-pyrrolidinopropyl)-, (17R,21-alpha)-
RN: 47719-73-3
InChIKey: BSINHRRJSUOBJB-QBDIDOSNSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C27-H40-N3-O3

Molecular Weight

  • 454.631
 
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Names and Synonyms

Synonyms

  • (17R,21-alpha)-17,21-Dihydroxy-4-(2-hydroxy-3-pyrrolidinopropyl)ajmalanium
  • BRN 4043544

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 47719-73-3

System Generated Number

  • 0047719733

Structure Descriptors

InChI

1S/C27H40N3O3/c1-3-17-18-12-21-24-27(19-8-4-5-9-20(19)28(24)2)13-22(23(18)25(27)32)30(21,26(17)33)15-16(31)14-29-10-6-7-11-29/h4-5,8-9,16-18,21-26,31-33H,3,6-7,10-15H2,1-2H3/q+1/t16?,17-,18?,21-,22-,23?,24-,25+,26+,27?,30?/m0/s1

InChIKey

BSINHRRJSUOBJB-QBDIDOSNSA-N

Smiles

C([C@@H](O)CN1CCCC1)[N@@+]12[C@H]3C[C@@H]([C@@H]([C@H]1O)CC)[C@@H]1[C@@H]2C[C@@]2(c4c(N([C@@H]32)C)cccc4)[C@@H]1O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rat LD50 intravenous 4400ug/kg (4.4mg/kg) CARDIAC: OTHER CHANGES Pharmazie. Vol. 31, Pg. 36, 1976.