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Substance Name: CP 331
RN: 127966-70-5
InChIKey: SWFXMFDHMPMWMA-UHFFFAOYSA-N

Note

  • Indomethacin active prodrug.

Molecular Formula

  • C38-H44-Cl-N3-O6-S

Molecular Weight

  • 706.3
 
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Names and Synonyms

Name of Substance

  • CP 331

Synonyms

  • (N-(3-(3-(Piperidinylmethyl)phenoxy)propyl)carbamoylmethylthio)ethyl 1-(p-chlorobenzoyl) 5-methoxy-2-methyl-3-indolylacetate
  • 2-(N-(3-(3-(Piperidinomethyl)phenoxy)propyl)carbamoylmethylthio)ethyl 1-(4-chlorobenzoyl)-5-methoxy-2-methylindole-3-acetate
  • 2-Pppcmmi
  • CP-331

Systematic Name

  • 1H-Indole-3-acetic acid, 1-(4-chlorobenzoyl)-5-methoxy-2-methyl-, 2-((2-oxo-2-((3-(3-(1-piperidinylmethyl)phenoxy)propyl)amino)ethyl)thio)ethyl ester

Registry Numbers

CAS Registry Number

  • 127966-70-5

System Generated Number

  • 0127966705

Structure Descriptors

InChI

1S/C38H44ClN3O6S/c1-27-33(34-23-31(46-2)14-15-35(34)42(27)38(45)29-10-12-30(39)13-11-29)24-37(44)48-20-21-49-26-36(43)40-16-7-19-47-32-9-6-8-28(22-32)25-41-17-4-3-5-18-41/h6,8-15,22-23H,3-5,7,16-21,24-26H2,1-2H3,(H,40,43)

InChIKey

SWFXMFDHMPMWMA-UHFFFAOYSA-N

Smiles

n1(c(c(c2cc(ccc12)OC)CC(=O)OCCSCC(NCCCOc1cc(ccc1)CN1CCCCC1)=O)C)C(c1ccc(cc1)Cl)=O