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Substance Name: N-(4-Iodophenyl)cholesteryl 3-carbamate
RN: 124784-17-4
InChIKey: JQCFZSAQTGDTED-AESKLMAPSA-N

Note

  • Potential tumor or organ imaging agent.

Molecular Formula

  • C34-H50-I-N-O2

Molecular Weight

  • 631.674
 
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Names and Synonyms

Name of Substance

  • N-(4-Iodophenyl)cholesteryl 3-carbamate

Synonyms

  • 4-Ipcce
  • Cholesterol 4-iodophenyl carbamate ester

Systematic Name

  • Cholest-5-en-3-ol (3beta)-, (4-iodophenyl)carbamate

Registry Numbers

CAS Registry Number

  • 124784-17-4

System Generated Number

  • 0124784174

Structure Descriptors

InChI

1S/C34H50INO2/c1-22(2)7-6-8-23(3)29-15-16-30-28-14-9-24-21-27(38-32(37)36-26-12-10-25(35)11-13-26)17-19-33(24,4)31(28)18-20-34(29,30)5/h9-13,22-23,27-31H,6-8,14-21H2,1-5H3,(H,36,37)/t23-,27+,28+,29-,30+,31+,33+,34-/m1/s1

InChIKey

JQCFZSAQTGDTED-AESKLMAPSA-N

Smiles

C1[C@@H](CC2=CC[C@H]3[C@@H]4CC[C@@H]([C@@H](CCCC(C)C)C)[C@@]4(C)CC[C@H]3[C@@]2(C1)C)OC(Nc1ccc(cc1)I)=O