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Substance Name: Ajmalanium, 17,21-dihydroxy-4-(2-hydroxy-3-morpholinopropyl)-, (17R,21-alpha)-
RN: 47739-42-4
InChIKey: KFUOOPMVANHOKK-QBDIDOSNSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C27-H40-N3-O4

Molecular Weight

  • 470.63
 
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Names and Synonyms

Synonym

  • (17R,21-alpha)-17,21-Dihydroxy-4-(2-hydroxy-3-morpholinopropyl)ajmalanium

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 47739-42-4

System Generated Number

  • 0047739424

Structure Descriptors

InChI

1S/C27H40N3O4/c1-3-17-18-12-21-24-27(19-6-4-5-7-20(19)28(24)2)13-22(23(18)25(27)32)30(21,26(17)33)15-16(31)14-29-8-10-34-11-9-29/h4-7,16-18,21-26,31-33H,3,8-15H2,1-2H3/q+1/t16?,17-,18?,21-,22-,23?,24-,25+,26+,27?,30?/m0/s1

InChIKey

KFUOOPMVANHOKK-QBDIDOSNSA-N

Smiles

O1CCN(C[C@@H](C[N@@+]23[C@@H]4[C@H]5[C@@]6(C[C@H]3[C@@H]([C@@H](C4)[C@@H]([C@H]2O)CC)[C@H]6O)c2ccccc2N5C)O)CC1

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rat LD50 intravenous 4600ug/kg (4.6mg/kg) CARDIAC: OTHER CHANGES Pharmazie. Vol. 31, Pg. 36, 1976.