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Substance Name: CLR-1502 cation
RN: 1250254-86-4
UNII: 43FZ0HY89H
InChIKey: JBJHWWUHBHRXNN-UHFFFAOYSA-N

Molecular Formula

  • C61-H89-N3-O4-P

Molecular Weight

  • 959.3651
 
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Names and Synonyms

Name of Substance

  • CLR-1502 cation

Synonyms

  • 3H-Indolium, 2-(2-(3-(2-(1,3-dihydro-1,3,3-trimethyl-2H-indol-2-ylidene)ethylidene)-2-(4-(20-hydroxy-24,24-dimethyl-20-oxido-19,21-dioxa-24-azonia-20-phosphapentacos-1-yl)phenyl)-1-cyclohexen-1-yl)ethenyl)-1,3,3-trimethyl-, mono(inner salt)
  • CLR-1502 cation
  • UNII-43FZ0HY89H

Registry Numbers

CAS Registry Number

  • 1250254-86-4

FDA UNII

  • 43FZ0HY89H

System Generated Number

  • 1250254864

Structure Descriptors

InChI

1S/C61H89N3O4P/c1-60(2)53-34-25-27-36-55(53)62(5)57(60)44-42-50-32-30-33-51(43-45-58-61(3,4)54-35-26-28-37-56(54)63(58)6)59(50)52-40-38-49(39-41-52)31-24-22-20-18-16-14-12-10-11-13-15-17-19-21-23-29-47-67-69(65,66)68-48-46-64(7,8)9/h25-28,34-45H,10-24,29-33,46-48H2,1-9H3/q+1

InChIKey

JBJHWWUHBHRXNN-UHFFFAOYSA-N

Smiles

CN1\C(=C\C=C\2/CCCC(=C2c3ccc(CCCCCCCCCCCCCCCCCCOP(=O)([O-])OCC[N+](C)(C)C)cc3)\C=C\C4=[N+](C)c5ccccc5C4(C)C)\C(C)(C)c6ccccc16