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Substance Name: Cholesteryl 4-fluorobenzoate
RN: 23838-12-2
InChIKey: MCSXGHLTXBACQB-UHFFFAOYSA-N

Note

  • Adrenal imaging agent.

Molecular Formula

  • C34-H49-N-O4

Molecular Weight

  • 535.764
 
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Names and Synonyms

Name of Substance

  • Cholesteryl 4-fluorobenzoate

Synonym

  • EINECS 245-901-1

Systematic Names

  • Cholest-5-en-3-ol (3beta)-, 3-(4-nitrobenzoate)
  • Cholest-5-en-3-ol (3beta)-, 4-nitrobenzoate
  • Cholest-5-en-3beta-yl p-nitrobenzoate

Registry Numbers

CAS Registry Number

  • 23838-12-2

System Generated Number

  • 0023838122

Structure Descriptors

InChI

1S/C34H49NO4/c1-22(2)7-6-8-23(3)29-15-16-30-28-14-11-25-21-27(17-19-33(25,4)31(28)18-20-34(29,30)5)39-32(36)24-9-12-26(13-10-24)35(37)38/h9-13,22-23,27-31H,6-8,14-21H2,1-5H3

InChIKey

MCSXGHLTXBACQB-UHFFFAOYSA-N

Smiles

O=C(O[C@@H]1CC[C@@]2(C(=CC[C@@H]3[C@@H]4[C@@]([C@@H](CC4)[C@@H](CCCC(C)C)C)(CC[C@@H]23)C)C1)C)c1ccc([N+](=O)[O-])cc1