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Substance Name: Paspalic acid
RN: 5516-88-1
UNII: P81DUK4Q2L
InChIKey: RJNCJTROKRDRBW-TZMCWYRMSA-N

Molecular Formula

  • C16-H16-N2-O2

Molecular Weight

  • 268.314
 
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Names and Synonyms

Name of Substance

  • Paspalic acid

Synonyms

  • 6-Methyl-delta 8,9-ergoline-8-carboxylic acid
  • UNII-P81DUK4Q2L

Systematic Name

  • Ergoline-8-carboxylic acid, 8,9-didehydro-6-methyl-

Registry Numbers

CAS Registry Number

  • 5516-88-1

FDA UNII

  • P81DUK4Q2L

System Generated Number

  • 0005516881

Structure Descriptors

InChI

1S/C16H16N2O2/c1-18-8-10(16(19)20)5-12-11-3-2-4-13-15(11)9(7-17-13)6-14(12)18/h2-5,7,12,14,17H,6,8H2,1H3,(H,19,20)/t12-,14-/m1/s1

InChIKey

RJNCJTROKRDRBW-TZMCWYRMSA-N

Smiles

c12c3[C@@H]4[C@H]([N@@](CC(=C4)C(O)=O)C)Cc1c[nH]c2ccc3