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Substance Name: Isobutyric acid, 3-methyl-2-(4-phenyl-1,3-butadienyl)-4-piperidyl ester, hydrochloride, (E,E)-trans-2,3-trans-2,4-
RN: 26834-29-7
InChIKey: CCVMKXIKKJBYRX-AKOPKFBKSA-N

Classification Codes

  • Drug / Therapeutic Agent
  • Natural Product

Molecular Formula

  • C20-H27-N-O2.Cl-H

Molecular Weight

  • 349.899
 
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Names and Synonyms

Synonyms

  • 4-Isobutyryloxy-3-methyl-2-(4-phenylbutadienyl)piperidine hydrochloride
  • Dienomycin A hydrochloride

Systematic Name

  • Isobutyric acid, 3-methyl-2-(4-phenyl-1,3-butadienyl)-4-piperidyl ester, hydrochloride, (E,E)-trans-2,3-trans-2,4-

Registry Numbers

CAS Registry Number

  • 26834-29-7

System Generated Number

  • 0026834297

Molecular Formulas

Molecular Formula

  • C20-H27-N-O2.Cl-H

Molecular Formula Fragments

  • C20-H27-N-O2
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C20H27NO2.ClH/c1-15(2)20(22)23-19-13-14-21-18(16(19)3)12-8-7-11-17-9-5-4-6-10-17;/h4-12,15-16,18-19,21H,13-14H2,1-3H3;1H/b11-7+,12-8+;/t16-,18-,19+;/m1./s1

InChIKey

CCVMKXIKKJBYRX-AKOPKFBKSA-N

Smiles

C1[C@@H]([C@@H]([C@H]([NH2+]C1)\C=C\C=C\c1ccccc1)C)OC(C(C)C)=O.[ClH-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 90mg/kg (90mg/kg)   Journal of Antibiotics. Vol. 23, Pg. 20, 1970.