Raltegravir Potassium Salt
CAS #: 871038-72-1
Product Code : E-N-A767-CU-CU
CAS #: 871038-72-1
Linear Formula: C20H20FKN6O5
MDL Number: MFCD12031642
EC No.: 682-461-3
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Synonyms
Potassium 4-4-fluorobenzyl carbamoyl-1-methyl-2-2-5-methyl-1,3,4-oxadiazole-2-carboxamido propan-2-yl-6-oxo-1,6-dihydropyrimidin-5-olate, N-[(4-Fluorophenyl)methyl]-1,6-dihydro-5-hydroxy-1-methyl-2-[1-methyl-1-[[(5-methyl-1,3,4-oxadiazol-2-yl)carbonyl]amino]ethyl]-6-oxo-4-pyrimidinecarboxamide Potassium Salt, Raltegravir (MK-0518, UNII-43Y000U234
Compound Formula: C20H20FKN6O5
Molecular Weight: 482.51
Appearance: White to light beige powder
Melting Point: 155-157 °C
Boiling Point: N/A
Density: N/A
Solubility in H2O: Slightly soluble
Exact Mass: 482.111627 g/mol
Monoisotopic Mass: 482.111627 g/mol
Storage Temperature: -20 °C
Health & Safety Information
Signal Word: Danger
Hazard Statements: H318-H335-H361
Hazard Codes: C, Xn
Precautionary Statements: P201-P202-P261-P271-P280-P281-P304+P340-P305+P351+P338-P308+P313-P310-P312-P403+P233-P405-P501
Risk Codes: N/A
Safety Statements: N/A
Transport Information: NONH for all modes of transport
GHS Pictogram: Image,Image,Image
Chemical Identifiers
Linear Formula: C20H20FKN6O5
Pubchem CID: 23668479
MDL Number: MFCD12031642
EC No.: 682-461-3
IUPAC Name: potassium; 4-[(4-fluorophenyl)methylcarbamoyl]-1-methyl-2-[2-[(5-methyl-1,3,4-oxadiazole-2-carbonyl)amino]propan-2-yl]-6-oxopyrimidin-5-olate
SMILES: CC1=NN=C(O1)C(=O)NC(C)(C)C2=NC(=C(C(=O)N2C)[O-])C(=O)NCC3=CC=C(C=C3)F.[K+]
InchI Identifier: InChI=1S/C20H21FN6O5.K/c1-10-25-26-17(32-10)16(30)24-20(2,3)19-23-13(14(28)18(31)27(19)4)15(29)22-9-11-5-7-12(21)8-6-11;/h5-8,28H,9H2,1-4H3,(H,22,29)(H,24,30);/q;+1/p-1
InchI Key: IFUKBHBISRAZTF-UHFFFAOYSA-M
