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Substance Name: Bodipy-verapamil
RN: 137759-83-2
InChIKey: XHHNVPXNXGXFIW-UHFFFAOYSA-K

Note

  • Substrate for P glycoprotein in MDR cells.

Molecular Formula

  • C41-H55-B-F2-N4-O5

Molecular Weight

  • 732.716
 
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Names and Synonyms

Name of Substance

  • Bodipy-verapamil

Systematic Name

  • Boron, (N-(2-(3,4-dimethoxyphenyl)-5-((2-(3,4-dimethoxyphenyl)ethyl)methylamino)-2-(1-methylethyl)pentyl)-5-((3,5-dimethyl-2H-pyrrol-2-ylidene)methyl)-1H-pyrrole-2-propanamidato-N1,N5)difluoro-, (T-4)-

Registry Numbers

CAS Registry Number

  • 137759-83-2

System Generated Number

  • 0137759832

Structure Descriptors

InChI

1S/C41H56N4O5.B.2FH/c1-28(2)41(32-12-17-37(48-7)39(25-32)50-9,20-10-21-45(5)22-19-31-11-16-36(47-6)38(24-31)49-8)27-42-40(46)18-15-33-13-14-34(44-33)26-35-29(3)23-30(4)43-35;;;/h11-14,16-17,23-26,28H,10,15,18-22,27H2,1-9H3,(H2,42,43,44,46);;2*1H/q;+3;;/p-3

InChIKey

XHHNVPXNXGXFIW-UHFFFAOYSA-K

Smiles

[BH3+3].[FH-].[FH-].c1(ccc(c(OC)c1)OC)CC[N@@](CCC[C@@](CNC(CCc1ccc(\C=C2\C(C)=CC(C)=N2)[n-]1)=O)(C(C)C)c1cc(c(cc1)OC)OC)C