AG00I99M

518048-05-0 | N-[2-[4-[(4-fluorophenyl)methylcarbamoyl]-5-hydroxy-1-methyl-6-oxopyrimidin-2-yl]propan-2-yl]-5-methyl-1,3,4-oxadiazole-2-carboxamide

AG00I99M

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CAS Number	518048-05-0
Catalog Number	AG00I99M
Chemical Name	N-[2-[4-[(4-fluorophenyl)methylcarbamoyl]-5-hydroxy-1-methyl-6-oxopyrimidin-2-yl]propan-2-yl]-5-methyl-1,3,4-oxadiazole-2-carboxamide
EC Number	610-733-3
IUPAC Name	N-[2-[4-[(4-fluorophenyl)methylcarbamoyl]-5-hydroxy-1-methyl-6-oxopyrimidin-2-yl]propan-2-yl]-5-methyl-1,3,4-oxadiazole-2-carboxamide
InChI	InChI=1S/C20H21FN6O5/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)
InChI Key	CZFFBEXEKNGXKS-UHFFFAOYSA-N
MDL Number	MFCD10698872
Molecular Formula	C20H21FN6O5
Molecular Weight	444.4163
SMILES	O=C1C(O)=C(N=C(N1C)C(C)(NC(C2=NN=C(O2)C)=O)C)C(NCC3=CC=C(C=C3)F)=O
UNII	22VKV8053U
Synonyms	0518, MK, Isentress, MK 0518, MK-0518, MK0518, Potassium, Raltegravir, raltegravir, Raltegravir Potassium, Raltegravir, 518048-05-0, Isentress, Raltegravir (MK-0518), MK-0518, MK0518, UNII-22VKV8053U, N-(2-(4-((4-fluorobenzyl)carbamoyl)-5-hydroxy-1-methyl-6-oxo-1,6-dihydropyrimidin-2-yl)propan-2-yl)-5-methyl-1,3,4-oxadiazole-2-carboxamide, 22VKV8053U, MK 0518, NCGC00184997-01, AK326327, DSSTox_CID_28586, DSSTox_RID_82857, DSSTox_GSID_48660, 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, N-(2-(4-(4-Fluorobenzylcarbamoyl)-5-hydroxy-1-methyl-6-oxo-1,6-dihydropyrimidin-2-yl)propan-2-yl)-5-methyl-1,3,4-oxadiazole-2-carboxamide, Isentress(TM), N-(4-Fluorobenzyl)-5-Hydroxy-1-Methyl-2-(1-Methyl-1-{[(5-Methyl-1,3,4-Oxadiazol-2-Yl)carbonyl]amino}ethyl)-6-Oxo-1,6-Dihydropyrimidine-4-Carboxamide, CAS-518048-05-0, MK-518, Raltegravir [USAN:INN], D07133, HSDB 8124, RLT, N-[1-[4-[(4-fluorophenyl)methylcarbamoyl]-5-hydroxy-1-methyl-6-oxo-pyrimidin-2-yl]-1-methyl-ethyl]-5-methyl-1,3,4-oxadiazole-2-carboxamide, Raltegravir (USAN/INN), Raltegravir; MK-0518, Raltegravir - MK-0518, Raltegravir(MK-0518)/, Raltegravir-(MK-0518), SCHEMBL51817, MLS006011985, SCHEMBL996804, CHEMBL254316, SCHEMBL2112870, DTXSID2048660, BDBM25351, C20H21FN6O5, KS-00000XJN, CZFFBEXEKNGXKS-UHFFFAOYSA-N, BCPP000093, HMS3655B09, AOB87131, BCP01394, EX-A2147, Tox21_113019, ABP000913, MFCD10698872, s2005, ZINC13831130, AKOS015902444, AKOS025149884, AKOS032960305, Tox21_113019_1, ZINC114994525, AC-5261, AN-3529, CS-2396, DB06817, MCULE-4916399246, PB13312, SB20935, NCGC00274066-01, NCGC00274066-05, AS-16992, BC228658, CJ-14473, HY-10353, RGV, SC-69059, SMR003601806, AB0028054, AB1004864, TL8006542, A4073, FT-0649660, SW220138-1, A25486, D06676, MK-0518;MK 0518;MK0518, Q-4458, yl}-6-oxo-1,6-dihydropyrimidine-4-carboxamide, AB01566833_01, 038R721, 048R050, A828788, I14-1973, BRD-K05658747-237-01-1, [(5-methyl-1,3,4-oxadiazol-2-yl)formamido]propan-2-, N-[(4-fluorophenyl)methyl]-5-hydroxy-1-methyl-2-{2-, Z1551429745, 871038-72-1, Isentress, Raltegravir potassium, MK-518, D07133, 4-Pyrimidinecarboxamide, 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- (9CI), MK-0518;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, N-(2-(4-(4-fluorobenzylcarbamoyl)-5-hydroxy-1-methyl-6-oxo-1, 6-dihydropyrimidin-2-yl)propan-2-yl) -5-methyl-1,3,4-oxadiazole-2- carboxamide, N-(2-(4-(4-Fluorobenzylcarbamoyl)-5-OH-1-Me-6-oxo-pyrimidin-2-yl)propan-2-yl)-5-Me-1,3,4-oxadiazole-2-carboxamide, N-[(4-fluorophenyl)methyl]-5-hydroxy-1-methyl-2-{2-[(5-methyl-1,3,4-oxadiazol-2-yl)formamido]propan-2-yl}-6-oxo-1,6-dihydropyrimidine-4-carboxamide, N-[1-[(4Z)-4-[[(4-fluorophenyl)methylamino]-hydroxy-methylene]-1-methyl-5,6-dioxo-pyrimidin-2-yl]-1-methyl-ethyl]-5-methyl-1,3,4-oxadiazole-2-carboxamide, N-[2-(4-{[(4-fluorophenyl)methyl]carbamoyl}-5-hydroxy-1-methyl-6-oxo-1,6-dihydropyrimidin-2-yl)propan-2-yl]-5-methyl-1,3,4-oxadiazole-2-carboxamide, N-[2-[4-[(4-fluorophenyl)methylcarbamoyl]-5-hydroxy-1-methyl-6-oxopyrimidin-2-yl]propan-2-yl]-5-methyl-1,3,4-oxadiazole-2-carboxamide, N-[2-[4-[[(4-fluorophenyl)methylamino]-hydroxymethylidene]-1-methyl-5,6-dioxo-2-pyrimidinyl]propan-2-yl]-5-methyl-1,3,4-oxadiazole-2-carboxamide, N-[2-[4-[[(4-fluorophenyl)methylamino]-oxidanyl-methylidene]-1-methyl-5,6-bis(oxidanylidene)pyrimidin-2-yl]propan-2-yl]-5-methyl-1,3,4-oxadiazole-2-carboxamide, Raltegravir potassium, Raltegravir (INN), Raltegravir [USAN], Potassium, Raltegravir, Raltegravir [INN:BAN], Raltegravir Potassium Salt, D0I1FQ, cc-110, N-(2-(4-(4-fluorobenzylcarbamoyl), 871038-72-1, ACN-046772, CS-O-11731, CID11598201, CID11700929, 0518, MK, K-0518, 2450A, X0050, C507898, D000068898, RAL,

Complexity	836
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	444.156g/mol
Formal Charge	0
Heavy Atom Count	32
Hydrogen Bond Acceptor Count	9
Hydrogen Bond Donor Count	3
Isotope Atom Count	0
Molecular Weight	444.423g/mol
Monoisotopic Mass	444.156g/mol
Rotatable Bond Count	6
Topological Polar Surface Area	150A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.1

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

Lot Number