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Substance Name: Eburnamenin-14(15H)-one, O-(2-hydroxy-3-(4-(2-methoxyphenyl)-1-piperazinyl)propyl)oxime, hydrochloride, hydrate, (3-alpha,16-alpha)-, (2:6:3)
RN: 103680-28-0
InChIKey: YODMAKOXOVLYBQ-FHJFVQRXSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C33-H43-N5-O3.3Cl-H.3/2H2-O

Molecular Weight

  • 1388.2792
 
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Names and Synonyms

Synonym

  • RTECS KJ5366000

Systematic Name

  • Eburnamenin-14(15H)-one, O-(2-hydroxy-3-(4-(2-methoxyphenyl)-1-piperazinyl)propyl)oxime, hydrochloride, hydrate, (3-alpha,16-alpha)-, (2:6:3)

Registry Numbers

CAS Registry Number

  • 103680-28-0

System Generated Number

  • 0103680280

Molecular Formulas

Molecular Formula

  • C33-H43-N5-O3.3Cl-H.3/2H2-O

Molecular Formula Fragments

  • C33-H43-N5-O3
  • Cl-H
  • COMPONENT
  • H2-O

Structure Descriptors

InChI

1S/2C33H43N5O3.6ClH.3H2O/c2*1-3-33-14-8-15-37-16-13-26-25-9-4-5-10-27(25)38(31(26)32(33)37)30(21-33)34-41-23-24(39)22-35-17-19-36(20-18-35)28-11-6-7-12-29(28)40-2;;;;;;;;;/h2*4-7,9-12,24,32,39H,3,8,13-23H2,1-2H3;6*1H;3*1H2/b2*34-30-;;;;;;;;;/t2*24?,32-,33+;;;;;;;;;/m11........./s1

InChIKey

YODMAKOXOVLYBQ-FHJFVQRXSA-N

Smiles

CC[C@@]12[C@@H]3N(CCc4c3n(c5c4cccc5)/C(=N\OCC(O)CN6CCN(CC6)c7c(cccc7)OC)/C1)CCC2.CC[C@@]12[C@@H]3N(CCc4c3n(c5c4cccc5)/C(=N\OCC(O)CN6CCN(CC6)c7c(cccc7)OC)/C1)CCC2.O.O.O.Cl.Cl.Cl.Cl.Cl.Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 560mg/kg (560mg/kg)   United States Patent Document. Vol. #4735943,