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Substance Name: D-Panthothenyl trifarnesylacetate
RN: 15470-06-1
InChIKey: CLLGPAWDWDMLAT-NAUDCCDRSA-N

Molecular Formula

  • C60-H97-N-O7

Molecular Weight

  • 944.426
 
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Names and Synonyms

Results Name

  • D-Panthothenyl trifarnesylacetate

Synonyms

  • BRN 2321503
  • D-Panthothenyl trifarnesylacetate
  • DA 1813
  • Pantothenyl tri(farnesylacetate)
  • Tri(E,E,E)-5,9,13-trimethyl-4,8,12-tetradecatrienoate

Systematic Names

  • 4,8,12-Tetradecatrienoic acid, 5,9,13-trimethyl-, 1-(((3-((5,9,13-trimethyl-1-oxo-4,8,12-tetradecatrienyl)oxy)propyl)amino)carbonyl)-2,2-dimethyl-1,3-propanediyl ester, (R-(all-E))-
  • 4,8,12-Tetradecatrienoic acid, 5,9,13-trimethyl-, 1-(((3-((5,9,13-trimethyl-1-oxo-4,8,12-tetradecatrienyl)oxy)propyl)amino)carbonyl)-2,2-dimethyll-1,3-propanediyl ester, (R-(all-E))-
  • 4,8,12-Tetradecatrienoic acid, 5,9,13-trimethyl-, triester with D-2,4-dihydroxy-N-(3-hydroxypropyl)-3,3-dimethylbutyramide, (E,E,E)-

Registry Numbers

CAS Registry Number

  • 15470-06-1

System Generated Number

  • 0015470061

Structure Descriptors

InChI

1S/C60H97NO7/c1-46(2)25-15-28-49(7)31-18-34-52(10)37-21-40-55(62)66-44-24-43-61-59(65)58(68-57(64)42-23-39-54(12)36-20-33-51(9)30-17-27-48(5)6)60(13,14)45-67-56(63)41-22-38-53(11)35-19-32-50(8)29-16-26-47(3)4/h25-27,31-33,37-39,58H,15-24,28-30,34-36,40-45H2,1-14H3,(H,61,65)/b49-31+,50-32+,51-33+,52-37+,53-38+,54-39+/t58-/m0/s1

InChIKey

CLLGPAWDWDMLAT-NAUDCCDRSA-N

Smiles

C([C@H](C(=O)NCCCOC(CC\C=C(\CC\C=C(\CC\C=C(\C)C)C)C)=O)OC(CC\C=C(\CC\C=C(\CC\C=C(\C)C)C)C)=O)(COC(CC\C=C(\CC\C=C(\CC\C=C(\C)C)C)C)=O)(C)C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal > 3200mg/kg (3200mg/kg)   Arzneimittel-Forschung. Drug Research. Vol. 17, Pg. 1122, 1967.