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Substance Name: Cholesteryl 4,4-difluoro-5,7-dimethyl-4-bora-3,4-diaza-3-indacenedodecanoate
RN: 151736-99-1
InChIKey: MSNUOLLURMMQGK-UHFFFAOYSA-L

Note

  • A fluorescent cholesteryl ester analog.

Molecular Formula

  • C50-H77-B-F2-N2-O2

Molecular Weight

  • 786.9773
 
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Names and Synonyms

Name of Substance

  • Cholesteryl 4,4-difluoro-5,7-dimethyl-4-bora-3,4-diaza-3-indacenedodecanoate

Synonym

  • Bodipy-CE

Systematic Name

  • Boron, ((3beta)-cholest-5-en-3-yl 5-((3,5-dimethyl-2H-pyrrol-2-ylidene)methyl)-1H-pyrrole-2-dodecanoato-N1,N5)difluoro-, (T-4)-

Registry Numbers

CAS Registry Number

  • 151736-99-1

System Generated Number

  • 0151736991

Structure Descriptors

InChI

1S/C50H77N2O2.B.2FH/c1-35(2)18-17-19-36(3)44-26-27-45-43-25-22-39-33-42(28-30-49(39,6)46(43)29-31-50(44,45)7)54-48(53)21-16-14-12-10-8-9-11-13-15-20-40-23-24-41(52-40)34-47-37(4)32-38(5)51-47;;;/h22-24,32,34-36,42-46H,8-21,25-31,33H2,1-7H3;;2*1H/q-1;+3;;/p-2

InChIKey

MSNUOLLURMMQGK-UHFFFAOYSA-L

Smiles

[B+3].CC\1=CC(=N/C1=C\c2ccc([n-]2)CCCCCCCCCCCC(=O)OC3CCC4(C5CCC6(C(C5CC=C4C3)CCC6C(C)CCCC(C)C)C)C)C.[F-].[F-]