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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/s1InChIKey
YZOAIMIYGPLRLH-DCAQKATOSA-NSmiles
CN1C(=O)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. |