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Substance Name: 1-Piperazineethanol, 4-(3,7,11,15,19,23,27,31,35-nonamethyl-2,6,10,14,18,22,26,30,34-hexatriacontanonaenyl)-, (all-E)-
RN: 81331-12-6
InChIKey: DTWQHARODGDOAV-NKUNRPDQSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C51-H86-N2-O

Molecular Weight

  • 743.2534
 
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Names and Synonyms

Synonym

  • N-beta-Hydroxyethyl-N'-solanesylpiperazine

Systematic Name

  • 1-Piperazineethanol, 4-(3,7,11,15,19,23,27,31,35-nonamethyl-2,6,10,14,18,22,26,30,34-hexatriacontanonaenyl)-, (all-E)-

Registry Numbers

CAS Registry Number

  • 81331-12-6

System Generated Number

  • 0081331126

Structure Descriptors

InChI

1S/C51H86N2O/c1-43(2)19-11-20-44(3)21-12-22-45(4)23-13-24-46(5)25-14-26-47(6)27-15-28-48(7)29-16-30-49(8)31-17-32-50(9)33-18-34-51(10)35-36-52-37-39-53(40-38-52)41-42-54/h19,21,23,25,27,29,31,33,35,54H,11-18,20,22,24,26,28,30,32,34,36-42H2,1-10H3/b44-21-,45-23-,46-25-,47-27-,48-29-,49-31-,50-33-,51-35-

InChIKey

DTWQHARODGDOAV-NKUNRPDQSA-N

Smiles

CC(=CCC/C(=C\CC/C(=C\CC/C(=C\CC/C(=C\CC/C(=C\CC/C(=C\CC/C(=C\CC/C(=C\CN1CCN(CC1)CCO)/C)/C)/C)/C)/C)/C)/C)/C)C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal > 500mg/kg (500mg/kg)   United States Patent Document. Vol. #4857529,
mouse LD50 intravenous 150mg/kg (150mg/kg)   United States Patent Document. Vol. #4857529,