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Substance Name: JTP-27536
RN: 216681-21-9
UNII: 34RCU15W5B
InChIKey: UEMZZDQCKZSDJA-ZMBIFBSDSA-N

Molecular Formula

  • C24-H25-N-O4.C4-H11-N-O3

Molecular Weight

  • 512.5994
 
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Names and Synonyms

Name of Substance

  • JTP-27536

Synonyms

  • 1,3-Propanediol, 2-amino-2-(hydroxymethyl)-, 2-((1R)-3-cyclohexyl-1-phenylpropyl)-2,3-dihydro-1,3-dioxo-1H-isoindole-5-carboxylate (salt)
  • 1H-Isoindole-5-carboxylic acid, 2-((1R)-3-cyclohexyl-1-phenylpropyl)-2,3-dihydro-1,3-dioxo-, compd. with 2-amino-2-(hydroxymethyl)-1,3-propanediol (1:1)
  • JTP 27536
  • JTP-27536
  • UNII-34RCU15W5B

Registry Numbers

CAS Registry Number

  • 216681-21-9

FDA UNII

  • 34RCU15W5B

System Generated Number

  • 0216681219

Structure Descriptors

InChI

1S/C24H25NO4.C4H11NO3/c26-22-19-13-12-18(24(28)29)15-20(19)23(27)25(22)21(17-9-5-2-6-10-17)14-11-16-7-3-1-4-8-16;5-4(1-6,2-7)3-8/h2,5-6,9-10,12-13,15-16,21H,1,3-4,7-8,11,14H2,(H,28,29);6-8H,1-3,5H2/t21-;/m1./s1

InChIKey

UEMZZDQCKZSDJA-ZMBIFBSDSA-N

Smiles

c1ccc(cc1)[C@@H](CCC2CCCCC2)N3C(=O)c4ccc(cc4C3=O)C(=O)O.C(C(CO)(CO)N)O