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Substance Name: Cholesteryl 2,6-dimethyl-3-iodobenzoate
RN: 124784-15-2
InChIKey: RJPYENJVQWBZAL-IPXOLVQISA-N

Note

  • Potential tumor or organ imaging agent.

Molecular Weight

  • 644.713
 
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Names and Synonyms

Name of Substance

  • Cholesteryl 2,6-dimethyl-3-iodobenzoate

Synonyms

  • 2,6-Dibce
  • 2,6-Dimethyl-3-iodobenzoate cholesterol ester

Systematic Name

  • Cholest-5-en-3-ol (3beta)-, 3-iodo-2,6-dimethylbenzoate

Registry Numbers

CAS Registry Number

  • 124784-15-2

System Generated Number

  • 0124784152

Structure Descriptors

InChI

InChI=1S/C36H53IO2/c1-22(2)9-8-10-23(3)29-14-15-30-28-13-12-26-21-27(17-19-35(26,6)31(28)18-20-36(29,30)7)39-34(38)33-24(4)11-16-32(37)25(33)5/h11-12,16,22-23,27-31H,8-10,13-15,17-21H2,1-7H3/t23-,27?,28?,29-,30?,31?,35+,36-/m1/s1

InChIKey

RJPYENJVQWBZAL-IPXOLVQISA-N

Smiles

CC(C)CCC[C@@H](C)[C@H]1CCC2C3CC=C4CC(CC[C@]4(C)C3CC[C@]12C)OC(=O)c5c(C)ccc(I)c5C