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Substance Name: Agaritine
RN: 2757-90-6
UNII: UX8Y7QVP8M
InChIKey: SRSPQXBFDCGXIZ-JTQLQIEISA-N

Note

  • Found in commonly eaten mushroom, Agaricus bisporus.

Molecular Formula

  • C12-H17-N3-O4

Molecular Weight

  • 267.2833
 

Classification Codes

Classification Codes

  • Mutation Data
  • Natural Product
  • Tumor Data

Superlist Classification Code

  • Overall Carcinogenic Evaluation: Group 3
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Names and Synonyms

Name of Substance

  • Agaritine

Synonyms

  • Agaritine
  • beta-N-(gamma-L(+)Glutamyl)4-hydroxymethylphenylhydrazine
  • BRN 0757731
  • CCRIS 5459
  • Glutamic acid, 5-(2-(alpha-hydroxy-p-tolyl)hydrazide), L-
  • HSDB 4202
  • L-Glutamic acid, 5-(2-(4-(hydroxymethyl)phenyl)hydrazide)
  • L-Glutamic acid, 5-(2-(alpha-hydroxy-para-tolyl)hydrazide)
  • NCI-C08899
  • UNII-UX8Y7QVP8M

Systematic Names

  • Agaritine
  • beta-N-(alpha-L-Glutamyl)-4-hydroxymethylphenylhydrazine
  • Glutamic acid, 5-(2-(alpha-hydroxy-p-tolyl)hydrazide), L-
  • L-Glutamic acid, 5-(2-(4-(hydroxymethyl)phenyl)hydrazide)
  • L-Glutamic acid, 5-(2-(4-(hydroxymethyl)phenyl)hydrazide) (9CI)

Superlist Name

  • Agaritine

Registry Numbers

CAS Registry Number

  • 2757-90-6

FDA UNII

  • UX8Y7QVP8M

System Generated Number

  • 0002757906

Structure Descriptors

InChI

1S/C12H17N3O4/c13-10(12(18)19)5-6-11(17)15-14-9-3-1-8(7-16)2-4-9/h1-4,10,14,16H,5-7,13H2,(H,15,17)(H,18,19)/t10-/m0/s1

InChIKey

SRSPQXBFDCGXIZ-JTQLQIEISA-N

Smiles

c1(ccc(cc1)CO)NNC(=O)CC[C@@H](C(=O)O)N

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 207 dec deg C   EXP
log P (octanol-water) -2.510 (none)   EST
Atmospheric OH Rate Constant 1.04E-10 cm3/molecule-sec 25 EST

Physical property data is provided to ChemIDplus by SRC, Inc.