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Substance Name: 4-(1-Pyrenyl)butyl methylphosphonofluoridate
RN: 67000-88-8
InChIKey: VSWBPUDGAWYALA-UHFFFAOYSA-N

Note

  • Fluorescent phosphate label for serine hydrolases.

Molecular Formula

  • C21-H20-F-O2-P

Molecular Weight

  • 354.359
 
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Names and Synonyms

Name of Substance

  • 4-(1-Pyrenyl)butyl methylphosphonofluoridate

Synonyms

  • BRN 2163126
  • Methylphosphonofluoridic acid 4-(1-pyrenyl)butyl ester
  • Pyrenebutyl-methylphosphonofluoridate

Systematic Name

  • Phosphonofluoridic acid, methyl-, 4-(1-pyrenyl)butyl ester

Registry Numbers

CAS Registry Number

  • 67000-88-8

System Generated Number

  • 0067000888

Structure Descriptors

InChI

1S/C21H20FO2P/c1-25(22,23)24-14-3-2-5-15-8-9-18-11-10-16-6-4-7-17-12-13-19(15)21(18)20(16)17/h4,6-13H,2-3,5,14H2,1H3

InChIKey

VSWBPUDGAWYALA-UHFFFAOYSA-N

Smiles

c1c2c3c(ccc4c3c(ccc4CCCCO[P@@](C)(=O)F)cc2)cc1

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 15mg/kg (15mg/kg)   Archives of Toxicology, Supplement. Vol. 6, Pg. 327, 1983.
mouse LDLo intraperitoneal 100mg/kg (100mg/kg)   Archives of Toxicology, Supplement. Vol. 6, Pg. 327, 1983.