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Substance Name: 1,2-Ethanediamine, N,N'-bis((3,4-dimethoxyphenyl)methyl)-N-(3,7,11,15,19,23,27,31,35-nonamethyl-2,6,10,14,18,22,26,30,34-hexatriacontanonaenyl)-
RN: 104845-40-1
InChIKey: RFCLMDXUHUITAX-KBKIXUIHSA-N

Molecular Formula

  • C65-H100-N2-O4

Molecular Weight

  • 973.515
 
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Names and Synonyms

Synonym

  • N-Solanesyl-N,N'-bis(3,4-dimethoxybenzyl)ethylenediamine

Systematic Name

  • 1,2-Ethanediamine, N,N'-bis((3,4-dimethoxyphenyl)methyl)-N-(3,7,11,15,19,23,27,31,35-nonamethyl-2,6,10,14,18,22,26,30,34-hexatriacontanonaenyl)-

Registry Numbers

CAS Registry Number

  • 104845-40-1

System Generated Number

  • 0104845401

Structure Descriptors

InChI

1S/C65H100N2O4/c1-51(2)23-15-24-52(3)25-16-26-53(4)27-17-28-54(5)29-18-30-55(6)31-19-32-56(7)33-20-34-57(8)35-21-36-58(9)37-22-38-59(10)43-45-67(50-61-40-42-63(69-12)65(48-61)71-14)46-44-66-49-60-39-41-62(68-11)64(47-60)70-13/h23,25,27,29,31,33,35,37,39-43,47-48,66H,15-22,24,26,28,30,32,34,36,38,44-46,49-50H2,1-14H3/b52-25+,53-27+,54-29+,55-31+,56-33+,57-35+,58-37+,59-43+

InChIKey

RFCLMDXUHUITAX-KBKIXUIHSA-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/CN(CCNCc1ccc(c(c1)OC)OC)Cc2ccc(c(c2)OC)OC)/C)/C)/C)/C)/C)/C)/C)/C)C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 350mg/kg (350mg/kg)   JNCI, Journal of the National Cancer Institute. Vol. 76, Pg. 947, 1986.
mouse LD50 intravenous 268mg/kg (268mg/kg)   JNCI, Journal of the National Cancer Institute. Vol. 76, Pg. 947, 1986.