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Substance Name: Ajmalanium, 17,21-dihydroxy-4-(2-hydroxy-3-piperidinopropyl)-, (17R,21-alpha)-
RN: 47739-41-3
InChIKey: PBXKNIPBIUGHOK-CLSINGCFSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C28-H42-N3-O3

Molecular Weight

  • 468.658
 
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Names and Synonyms

Synonyms

  • (17R,21-alpha)-17,21-Dihydroxy-4-(2-hydroxy-3-piperidinopropyl)ajmalanium
  • BRN 4044985

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 47739-41-3

System Generated Number

  • 0047739413

Structure Descriptors

InChI

1S/C28H42N3O3/c1-3-18-19-13-22-25-28(20-9-5-6-10-21(20)29(25)2)14-23(24(19)26(28)33)31(22,27(18)34)16-17(32)15-30-11-7-4-8-12-30/h5-6,9-10,17-19,22-27,32-34H,3-4,7-8,11-16H2,1-2H3/q+1/t17?,18-,19?,22-,23-,24?,25-,26+,27+,28?,31?/m0/s1

InChIKey

PBXKNIPBIUGHOK-CLSINGCFSA-N

Smiles

C([C@@H](CN1CCCCC1)O)[N@@+]12[C@@H]([C@H]([C@@H]3C[C@H]2[C@H]2[C@@]4(C[C@@H]1[C@@H]3[C@H]4O)c1ccccc1N2C)CC)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rat LD50 intravenous 9000ug/kg (9mg/kg) CARDIAC: OTHER CHANGES Pharmazie. Vol. 31, Pg. 36, 1976.