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Substance Name: MJ-451
RN: 129655-17-0
UNII: 2MDK92975H
InChIKey: PBEGNZBJXJTFMB-XZJROXQQSA-N

Molecular Formula

  • C17-H20-N2-O4

Molecular Weight

  • 316.355
 
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Names and Synonyms

Name of Substance

  • MJ-451

Synonyms

  • 2H-1-Benzopyran-6-carbonitrile, 3,4-dihydro-3-hydroxy-4-((2S)-2-(hydroxymethyl)-5-oxo-1-pyrrolidinyl)-2,2-dimethyl-, (3S,4R)-
  • 2H-1-Benzopyran-6-carbonitrile, 3,4-dihydro-3-hydroxy-4-(2-(hydroxymethyl)-5-oxo-1-pyrrolidinyl)-2,2-dimethyl-, (3S-(3alpha,4beta(R*)))-
  • MJ-451
  • UNII-2MDK92975H

Registry Numbers

CAS Registry Number

  • 129655-17-0

FDA UNII

  • 2MDK92975H

System Generated Number

  • 0129655170

Structure Descriptors

InChI

1S/C17H20N2O4/c1-17(2)16(22)15(19-11(9-20)4-6-14(19)21)12-7-10(8-18)3-5-13(12)23-17/h3,5,7,11,15-16,20,22H,4,6,9H2,1-2H3/t11-,15+,16-/m0/s1

InChIKey

PBEGNZBJXJTFMB-XZJROXQQSA-N

Smiles

CC1([C@H]([C@@H](c2cc(ccc2O1)C#N)N3[C@@H](CCC3=O)CO)O)C