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Substance Name: Caffeine N-acetyl-L-tryptophan
RN: 60364-24-1
UNII: 6MZ5U00NZC
InChIKey: HTWRTVLBVOTBKA-YDALLXLXSA-N

Molecular Formula

  • C13-H14-N2-O3.C8-H10-N4-O2

Molecular Weight

  • 440.4576
 
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Names and Synonyms

Name of Substance

  • Caffeine N-acetyl-L-tryptophan

Synonyms

  • 1,3,7-Trimethylxanthine acetyltryptophanate
  • 1H-Purine-2,6-dione, 3,7-dihydro-1,3,7-trimethyl-, compd. with N-acetyl-L-tryptophan (1:1)
  • A 50
  • Adrifane
  • Caffeine N-acetyl-L-tryptophan
  • Caffeine N-acetyl-L-tryptophan [WHO-DD]
  • L-Tryptophan, N-acetyl-, compd. with 3,7-dihydro-1,3,7-trimethyl-1H-purine-2,6-dione (1:1)
  • UNII-6MZ5U00NZC

Registry Numbers

CAS Registry Number

  • 60364-24-1

FDA UNII

  • 6MZ5U00NZC

System Generated Number

  • 0060364241

Structure Descriptors

InChI

1S/C13H14N2O3.C8H10N4O2/c1-8(16)15-12(13(17)18)6-9-7-14-11-5-3-2-4-10(9)11;1-10-4-9-6-5(10)7(13)12(3)8(14)11(6)2/h2-5,7,12,14H,6H2,1H3,(H,15,16)(H,17,18);4H,1-3H3/t12-;/m0./s1

InChIKey

HTWRTVLBVOTBKA-YDALLXLXSA-N

Smiles

CN1C(=O)N(C)c2ncn(C)c2C1=O.CC(=O)N[C@@H](Cc3c[nH]c4ccccc34)C(=O)O