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Substance Name: 4-Pyrimidinecarboxamide, hexahydro-N-(2-(4-aminocarbonyl)-3-thiazolidinyl)-1-(1H-imidazol-4-ylmethyl)-2-oxoethyl)-2,6-dioxo-1-methyl-, (4S-(4R*(R*(S*))))-, hydrate (4:3)
RN: 128055-87-8
InChIKey: YZOAIMIYGPLRLH-DCAQKATOSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C16-H21-N7-O5-S.3/4H2-O

Molecular Weight

  • 423.4519
 
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Names and Synonyms

  • 4-Pyrimidinecarboxamide, hexahydro-N-(2-(4-aminocarbonyl)-3-thiazolidinyl)-1-(1H-imidazol-4-ylmethyl)-2-oxoethyl)-2,6-dioxo-1-methyl-, (4S-(4R*(R*(S*))))-, hydrate (4:3)

Registry Numbers

CAS Registry Number

  • 128055-87-8

System Generated Number

  • 0128055878

Molecular Formulas

Molecular Formula

  • C16-H21-N7-O5-S.3/4H2-O

Molecular Formula Fragments

  • C16-H21-N7-O5-S
  • COMPONENT
  • H2-O

Structure Descriptors

InChI

1S/C16H21N7O5S/c1-22-12(24)3-9(21-16(22)28)14(26)20-10(2-8-4-18-6-19-8)15(27)23-7-29-5-11(23)13(17)25/h4,6,9-11H,2-3,5,7H2,1H3,(H2,17,25)(H,18,19)(H,20,26)(H,21,28)/t9-,10-,11-/m0/s1

InChIKey

YZOAIMIYGPLRLH-DCAQKATOSA-N

Smiles

CN1C(=O)C[C@H](NC1=O)C(=O)N[C@@H](Cc2c[nH]cn2)C(=O)N3CSC[C@H]3C(=O)N

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.