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Substance Name: Cholesteryl ibuprofen
RN: 154394-15-7
InChIKey: AHZNTDCNXYKGOX-UQAHCCBBSA-N

Molecular Formula

  • C40-H62-O2

Molecular Weight

  • 574.928
 
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Names and Synonyms

Name of Substance

  • Cholesteryl ibuprofen

Systematic Name

  • 3beta-cholest-5-enyl alpha-methyl-4-(2-methylpropyl)benzeneacetate

Registry Numbers

CAS Registry Number

  • 154394-15-7

System Generated Number

  • 0154394157

Structure Descriptors

InChI

1S/C40H62O2/c1-26(2)10-9-11-28(5)35-18-19-36-34-17-16-32-25-33(20-22-39(32,7)37(34)21-23-40(35,36)8)42-38(41)29(6)31-14-12-30(13-15-31)24-27(3)4/h12-16,26-29,33-37H,9-11,17-25H2,1-8H3/t28-,29?,33+,34+,35-,36+,37+,39+,40-/m1/s1

InChIKey

AHZNTDCNXYKGOX-UQAHCCBBSA-N

Smiles

C(O[C@@H]1CC2=CC[C@H]3[C@@H]4CC[C@@H]([C@@H](CCCC(C)C)C)[C@@]4(C)CC[C@H]3[C@@]2(C)CC1)([C@@H](C)c1ccc(cc1)CC(C)C)=O