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Substance Name: Ajmalanium, 17,21-dihydroxy-4-(2-piperidinoethyl)-, (17R,21-alpha)-
RN: 58894-62-5
InChIKey: MNJSKODPZNMJIK-QKQVTWFASA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C27-H40-N3-O2

Molecular Weight

  • 438.632
 
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Names and Synonyms

Synonyms

  • (17R,21-alpha)-17,21-Dihydroxy-4-(2-piperidinoethyl)ajmalanium
  • BRN 4036416

Systematic Name

  • Ajmalanium, 17,21-dihydroxy-4-(2-piperidinoethyl)-, (17R,21-alpha)-

Registry Numbers

CAS Registry Number

  • 58894-62-5

System Generated Number

  • 0058894625

Structure Descriptors

InChI

1S/C27H40N3O2/c1-3-17-18-15-21-24-27(19-9-5-6-10-20(19)28(24)2)16-22(23(18)25(27)31)30(21,26(17)32)14-13-29-11-7-4-8-12-29/h5-6,9-10,17-18,21-26,31-32H,3-4,7-8,11-16H2,1-2H3/q+1/t17-,18?,21-,22-,23?,24-,25+,26+,27?,30?/m0/s1

InChIKey

MNJSKODPZNMJIK-QKQVTWFASA-N

Smiles

CC[C@@H]1[C@H]([N+]2([C@H]3CC1C4[C@@H]2CC5([C@H]3N(c6c5cccc6)C)[C@@H]4O)CCN7CCCCC7)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rat LD50 intravenous 6800ug/kg (6.8mg/kg) CARDIAC: OTHER CHANGES Pharmazie. Vol. 31, Pg. 36, 1976.