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Substance Name: L-Histidine, N-((hexahydro-1-methyl-2,6-dioxo-4-pyrimidinyl)carbonyl)-, methyl ester, (S)-, dihydrate
RN: 128055-88-9
InChIKey: BDVBVBRMXRUAQS-IUCAKERBSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C13-H17-N5-O5.2H2-O

Molecular Weight

  • 323.3073
 
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Names and Synonyms

  • L-Histidine, N-((hexahydro-1-methyl-2,6-dioxo-4-pyrimidinyl)carbonyl)-, methyl ester, (S)-, dihydrate

Registry Numbers

CAS Registry Number

  • 128055-88-9

System Generated Number

  • 0128055889

Molecular Formulas

Molecular Formula

  • C13-H17-N5-O5.2H2-O

Molecular Formula Fragments

  • C13-H17-N5-O5
  • COMPONENT
  • H2-O

Structure Descriptors

InChI

1S/C13H17N5O5/c1-18-10(19)4-8(17-13(18)22)11(20)16-9(12(21)23-2)3-7-5-14-6-15-7/h5-6,8-9H,3-4H2,1-2H3,(H,14,15)(H,16,20)(H,17,22)/t8-,9-/m0/s1

InChIKey

BDVBVBRMXRUAQS-IUCAKERBSA-N

Smiles

CN1C(=O)C[C@H](NC1=O)C(=O)N[C@@H](Cc2c[nH]cn2)C(=O)OC

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.