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Substance Name: Methanesulfonamide, N-(3-(4-(4,4-bis(4-fluorophenyl)butyl)-1-piperazinyl)-2-hydroxypropyl)-N-phenyl-
RN: 143780-42-1
InChIKey: MRWLJDOGZIOXCK-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C30-H37-F2-N3-O3-S

Molecular Weight

  • 557.7023
 
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Names and Synonyms

Synonym

  • 1-(4,4-Bis(4-fluorophenyl)butyl)-4-(2-hydroxy-3-((methylsulfonyl)phenylamino)propyl)piperazine

Systematic Name

  • Methanesulfonamide, N-(3-(4-(4,4-bis(4-fluorophenyl)butyl)-1-piperazinyl)-2-hydroxypropyl)-N-phenyl-

Registry Numbers

CAS Registry Number

  • 143780-42-1

System Generated Number

  • 0143780421

Structure Descriptors

InChI

1S/C30H37F2N3O3S/c1-39(37,38)35(28-6-3-2-4-7-28)23-29(36)22-34-20-18-33(19-21-34)17-5-8-30(24-9-13-26(31)14-10-24)25-11-15-27(32)16-12-25/h2-4,6-7,9-16,29-30,36H,5,8,17-23H2,1H3

InChIKey

MRWLJDOGZIOXCK-UHFFFAOYSA-N

Smiles

CS(=O)(=O)N(CC(CN1CCN(CC1)CCCC(c2ccc(cc2)F)c3ccc(cc3)F)O)c4ccccc4

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD oral > 1gm/kg (1000mg/kg)   United States Patent Document. Vol. #5391552,