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Substance Name: Cholesteryl iopanoate
RN: 83172-18-3
InChIKey: OZOBNBRCHCPBJL-UHHODNAUSA-N

Molecular Formula

  • C38-H56-I3-N-O2

Molecular Weight

  • 955.5644
 
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Names and Synonyms

Name of Substance

  • Cholesteryl iopanoate

Synonym

  • Cholesterol iopanoate

Systematic Name

  • Cholest-5-en-3-ol (3beta)-, 3-amino-alpha-ethyl-2,4,6-triiodobenzenepropanoate

Registry Numbers

CAS Registry Number

  • 83172-18-3

System Generated Number

  • 0083172183

Structure Descriptors

InChI

1S/C38H56I3NO3/c1-7-25(19-29-33(40)20-27(39)21-34(29)41)35(43)45-42-38(44)18-17-36(5)26(22-38)11-12-28-31-14-13-30(24(4)10-8-9-23(2)3)37(31,6)16-15-32(28)36/h11,20-21,23-25,28,30-32,42,44H,7-10,12-19,22H2,1-6H3/t24-,25?,28?,30-,31?,32?,36+,37-,38-/m1/s1

InChIKey

OZOBNBRCHCPBJL-UHHODNAUSA-N

Smiles

CCC(Cc1c(cc(cc1I)I)I)C(=O)ON[C@]2(CC[C@@]3(C4CC[C@@]5([C@H](CCC5C4CC=C3C2)[C@H](C)CCCC(C)C)C)C)O