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Substance Name: 5-(3-(3-(4,4-Difluoro-5,7-dimethyl-3,4-diaza-4-bora-indacen-3-yl)propionamido)phenethyl-N-methylamino)-2-isopropyl-2-(3,4,5-trimethoxyphenyl)valeronitrile
RN: 139972-87-5
InChIKey: XMJBJQPLXCJTKN-UHFFFAOYSA-K

Note

  • Probe for L-type calcium channels.

Molecular Formula

  • C40-H50-B-F2-N5-O4

Molecular Weight

  • 713.673
 
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Names and Synonyms

Name of Substance

  • 5-(3-(3-(4,4-Difluoro-5,7-dimethyl-3,4-diaza-4-bora-indacen-3-yl)propionamido)phenethyl-N-methylamino)-2-isopropyl-2-(3,4,5-trimethoxyphenyl)valeronitrile

Synonym

  • Dmbodipy-paa

Systematic Name

  • Boron, (N-(3-(2-((4-cyano-5-methyl-4-(3,4,5-trimethoxyphenyl)hexyl)methylamino)ethyl)phenyl)-5-((3,5-dimethyl-2H-pyrrol-2-ylidene)methyl)-1H-pyrrol-2-propanamidato-N1,N5)difluoro-, (T-4)-

Registry Numbers

CAS Registry Number

  • 139972-87-5

System Generated Number

  • 0139972875

Structure Descriptors

InChI

1S/C40H51N5O4.B.2FH/c1-27(2)40(26-41,31-23-36(47-6)39(49-8)37(24-31)48-7)18-10-19-45(5)20-17-30-11-9-12-33(22-30)44-38(46)16-15-32-13-14-34(43-32)25-35-28(3)21-29(4)42-35;;;/h9,11-14,21-25,27H,10,15-20H2,1-8H3,(H2,42,43,44,46);;2*1H/q;+3;;/p-3

InChIKey

XMJBJQPLXCJTKN-UHFFFAOYSA-K

Smiles

[B+3].CC\1=CC(=N/C1=C\c2ccc([n-]2)CCC(=O)Nc3cccc(c3)CCN(C)CCCC(C#N)(c4cc(c(c(c4)OC)OC)OC)C(C)C)C.[F-].[F-]