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AG00GU5Y

940908-79-2 | R7128

AG00GU5Y

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CAS Number	940908-79-2
Catalog Number	AG00GU5Y(AGN-PC-0W3PIB)
Chemical Name	R7128
IUPAC Name	[(2R,3R,4R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-4-fluoro-4-methyl-3-(2-methylpropanoyloxy)oxolan-2-yl]methyl 2-methylpropanoate
InChI	InChI=1S/C18H26FN3O6/c1-9(2)14(23)26-8-11-13(28-15(24)10(3)4)18(5,19)16(27-11)22-7-6-12(20)21-17(22)25/h6-7,9-11,13,16H,8H2,1-5H3,(H2,20,21,25)/t11-,13-,16-,18-/m1/s1
InChI Key	MLESJYFEMSJZLZ-MAAOGQSESA-N
MDL Number	MFCD22572932
Molecular Formula	C18H26FN3O6
Molecular Weight	399.4139
SMILES	C(C(C)C)(=O)O[C@@H]1[C@H](O[C@H]([C@]1(C)F)N1C(N=C(C=C1)N)=O)COC(C(C)C)=O
UNII	TA63JX8X52
Synonyms	2'-fluoro-2'-methyl-3',5'-diisobutyryldeoxycytidine, mericitabine, R7128, RG 7128, RG-7128, RG7128, Mericitabine, R-7128, 940908-79-2, UNII-TA63JX8X52, RG7128, RG-7128, TA63JX8X52, RO-5024048, R 7128, R7128, PSI 6130 diisobutyrate, Mericitabine [USAN:INN], 3',5'-Diisobutyryl PSI 6130, RG 7128, Mericitabine (USAN/INN), R-4048, SCHEMBL811260, 2'-Deoxy-2'-fluoro-2'-C-methylcytidine diisobutyrate, CHEMBL562967, C18H26FN3O6, [(2R,3R,4R,5R)-5-(4-Amino-2-oxopyrimidin-1-yl)-4-fluoro-4-methyl-3-(2-methylpropanoyloxy)oxolan-2-yl]methyl 2-methylpropanoate, BCP13789, 3997AH, ZINC35307932, AKOS027314064, CS-0596, DB12045, SB16728, HY-10240, D10477, W-5955, RG 7128; Mericitabine; PSI 6130 diisobutyrate, 2'-Fluoro-2'-methyl-3',5'-diisobutyryldeoxycytidine, R-7128,CAS:940908-79-2, (2'R)- 2'-Deoxy-2'-fluoro-2'-methylcytidine 3',5'-bis(2-methylpropanoate), Cytidine, 2'-deoxy-2'-fluoro-2'-methyl-, 3',5'-bis(2-methylpropanoate), (2'R)-, [(2R,3R,4R,5R)-5-(4-amino-2-oxo-pyrimidin-1-yl)-4-fluoro-4-methyl-3-(2-methylpropanoyloxy)tetrahydrofuran-2-yl]methyl 2-methylpropanoate, D06QOF, PSI-6130, A3747, MCB,

Complexity	707
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	4
Defined Bond Stereocenter Count	0
Exact Mass	399.181g/mol
Formal Charge	0
Heavy Atom Count	28
Hydrogen Bond Acceptor Count	7
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	399.419g/mol
Monoisotopic Mass	399.181g/mol
Rotatable Bond Count	8
Topological Polar Surface Area	121A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.3

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Conclusion: The above product meets the specifications of Angene.

Analyst:Chase

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Reviewed by:Jessie

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Angene International Limited