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Substance Name: TA 0910 acid-type
RN: 103300-77-2
InChIKey: JOUVZSDETNOQNE-YMNVWFMLSA-N

Note

  • Metabolite of TA-0910.

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C17-H22-N6-O6.5/4H2-O

Molecular Weight

  • 406.3968
 
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Names and Synonyms

Name of Substance

  • TA 0910 acid-type

Systematic Name

  • L-Proline, 1-(N-((hexahydro-1-methyl-2,6-dioxo-4-pyrimidinyl)carbonyl)-L-histidyl)-, (S)-, hydrate (4:5)

Registry Numbers

CAS Registry Number

  • 103300-77-2

System Generated Number

  • 0103300772

Molecular Formulas

Molecular Formula

  • C17-H22-N6-O6.5/4H2-O

Molecular Formula Fragments

  • C17-H22-N6-O6
  • COMPONENT
  • H2-O

Structure Descriptors

InChI

1S/C17H22N6O6/c1-22-8-17(21-16(22)29,12(25)13-19-5-4-11(24)20-13)7-9(18)14(26)23-6-2-3-10(23)15(27)28/h4-5,9-10H,2-3,6-8,18H2,1H3,(H,21,29)(H,27,28)(H,19,20,24)/t9-,10-,17-/m0/s1

InChIKey

JOUVZSDETNOQNE-YMNVWFMLSA-N

Smiles

CN1C[C@@](NC1=O)(C[C@@H](C(=O)N2CCC[C@H]2C(=O)O)N)C(=O)c3[nH]c(=O)ccn3

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD intravenous > 500mg/kg (500mg/kg)   Journal of Medicinal Chemistry. Vol. 33, Pg. 2130, 1990.