AG00HWXM

143491-57-0 | 4-amino-5-fluoro-1-[(2R,5S)-2-(hydroxymethyl)-1,3-oxathiolan-5-yl]-1,2-dihydropyrimidin-2-one

AG00HWXM

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CAS Number	143491-57-0
Catalog Number	AG00HWXM(AGN-PC-0PU4Q0)
Chemical Name	4-amino-5-fluoro-1-[(2R,5S)-2-(hydroxymethyl)-1,3-oxathiolan-5-yl]-1,2-dihydropyrimidin-2-one
EC Number	604-363-1
IUPAC Name	4-amino-5-fluoro-1-[(2R,5S)-2-(hydroxymethyl)-1,3-oxathiolan-5-yl]pyrimidin-2-one
InChI	InChI=1S/C8H10FN3O3S/c9-4-1-12(8(14)11-7(4)10)5-3-16-6(2-13)15-5/h1,5-6,13H,2-3H2,(H2,10,11,14)/t5-,6+/m0/s1
InChI Key	XQSPYNMVSIKCOC-NTSWFWBYSA-N
MDL Number	MFCD00870151
Molecular Formula	C8H10FN3O3S
Molecular Weight	247.2467
SMILES	NC1=NC(N(C=C1F)[C@@H]1CS[C@@H](O1)CO)=O
UNII	G70B4ETF4S
Synonyms	Beta L 2',3' dideoxy 5 fluoro 3' thiacytidine, beta-L-2',3'-dideoxy-5-fluoro-3'-thiacytidine, Coviracil, emtricitabine, Emtriva, Emtricitabine, 143491-57-0, Emtriva, Coviracil, (-)-FTC, Racivir, 4-amino-5-fluoro-1-((2R,5S)-2-(hydroxymethyl)-1,3-oxathiolan-5-yl)pyrimidin-2(1H)-one, Emtritabine, 143491-54-7, dOTFC, 524W91, BW-524W91, 2-FTC, BW524W91, (-)-2'-Deoxy-5-fluoro-3'-thiacytidine, UNII-G70B4ETF4S, DRG-0208, 2'-Deoxy-5-fluoro-3'-thiacytidine, BW 524W91, BW 1592, 2',3',5-FTC, CHEBI:31536, 3'-Thia-2'.3'-dideoxy-5-fluorocytidine, HSDB 7337, FTC-(-), 2'-Deoxy-5-fluoro-3'-oxa-4'-thiocytidine, 4-amino-5-fluoro-1-[(2R,5S)-2-(hydroxymethyl)-1,3-oxathiolan-5-yl]pyrimidin-2-one, FTC, (-)-, G70B4ETF4S, 1-(2-(Hydroxymethyl)oxathiolan-5-yl)-5-fluorocytosine, (2R-cis)-4-Amino-5-fluoro-1-(2-(hydroxymethyl)-1,3-oxathiolan-5-yl)-2(1H)-pyrimidinone, 4-amino-5-fluoro-1-[(2R,5S)-2-(hydroxymethyl)-1,3-oxathiolan-5-yl]pyrimidin-2(1H)-one, 5-Fluoro-1-(2-(hydroxymethyl)-1,3-oxathiolan-5-yl)cytosine, 5-Fluoro-1-((2R,5S)-2-(hydroxymethyl)-1,3-oxathiolan-5-yl)cytosine, (-)-beta-2',3'-dideoxy-5-fluoro-3'-thiacytidine, MFCD00870151, 4-Amino-5-fluoro-1-((2R,5S)-rel-2-(hydroxymethyl)-1,3-oxathiolan-5-yl)pyrimidin-2(1H)-one, 4-amino-5-fluoro-1-[(2R,5S)-2-(hydroxymethyl)-1,3-oxathiolan-5-yl]-1,2-dihydropyrimidin-2-one, 2',3'-Dideoxy-5-fluoro-3'-thiacytidine, NCGC00164564-01, 2(1H)-Pyrimidinone, 4-amino-5-fluoro-1-(2-(hydroxymethyl)-1,3-oxathiolan-5-yl)-, cis-, C8H10FN3O3S, PSI 5004, Coviracil(TM), RCV, Emtriva(TM), 2(1H)-Pyrimidinone, 4-amino-5-fluoro-1-((2R,5S)-2-(hydroxymethyl)-1,3-oxathiolan-5-yl)-, rel-, 2(1H)-Pyrimidinone, 4-amino-5-fluoro-1-(2-(hydroxymethyl)-1,3-oxathiolan-5-yl)-, (2R-cis)-, 2(1H)-Pyrimidinone, 4-amino-5-fluoro-1-(2-(hydroxymethyl)-1,3-oxathiolan-5-yl)-, cis-(+-)-, SMR002533604, Emtricitabine [USAN:INN], (-)-.beta.-L-FTC, Emtricitabin, Emtricitabina, Emtricitabinum, 2(1H)-Pyrimidinone, 4-amino-5-fluoro-1-[(2R,5S)-2-(hydroxymethyl)-1,3-oxathiolan-5-yl]-, rel-, PSI-5004, AC1Q4KUB, CHEMBL885, AC1L1U3I, (-)-cis-4-amino-5-fluoro-1-(2-hydroxymethyl-1,3-oxathiolan-5-yl)-(1H)-pyrimidin-2-one, DSSTox_CID_20129, DSSTox_RID_79445, DSSTox_GSID_40129, SCHEMBL39708, 145213-48-5, MLS003882429, MLS006011556, MLS006011987, DTXSID0040129, CTK4C4432, EX-A150, 4-Amino-5-fluoro-1-((2S,5R)-2-(hydroxymethyl)-1,3-oxathiolan-5-yl)pyrimidin-2(1H)-one, XQSPYNMVSIKCOC-NTSWFWBYSA-N, HMS2089I05, HMS3713L12, KS-00001CJ2, ZINC3629271, Tox21_112193, ((-))-FTC, 5-fluoro-1-[(2R,5S)-2-(hydroxymethyl)[1,3]oxathiolan-5-yl]cytosine, ABP001074, ANW-58684, BDBM50107843, CE0036, FTC-((-)), s1704, (-)-(2R,5S)-5-fluoro-1-[2-(hydroxymethyl)-1,3-oxathiolan-5-yl]cytosine, AKOS015853098, AKOS015894950, AM84393, AN-7243, CCG-220615, CS-1370, DB00879, MCULE-7141046266, NE44626, RL01788, RTC-020120, SB18984, KS-00000L28, 2',3'-Dideoxy-3-thia-5-fluorocytidine, AJ-45141, AS-14099, BC213715, HY-17427, SC-17032, LS-135838, LS-173184, ST2405540, TC-020120, TL8000958, CAS-143491-57-0, E1007, FT-0080009, FT-0601789, SW220172-1, C12599, D01199, 24229-EP2298783A1, 24229-EP2314590A1, AB01275429-01, 491E570, W-201247, W-201248, Z1739256297, UNII-ULS8902U4O component XQSPYNMVSIKCOC-NTSWFWBYSA-N, (2R,5S)-4-Amino-5-fluoro-1-(2-(hydroxymethyl)-1,3-oxathiolan-5-yl)pyrimidin-2(1H)-one, .beta.-L-(-)-(2R,5S)-5-Fluoro-1-[2-(hydroxymethyl)-1,3-oxathiolan-5-yl]cytosine, 2(1H)-Pyrimidinone,4-amino-5-fluoro-1-[(2R,5S)-2-(hydroxymethyl)-1,3-oxathiolan-5-yl]-, 4-Amino-5-fluoro-1-((2R,5S)-2-hydroxymethyl-[1,3]oxathiolan-5-yl)-1H-pyrimidin-2-one, 4-Amino-5-fluoro-1-[(2R,5S)-2-hydroxymethyl)-1,3-oxathiolan-5-yl]-2-(1H-pyrimidinone, 2(1H)-Pyrimidinone,4-amino-5-fluoro-1-[(2R,5S)-2-(hydroxymethyl)-1,3-oxathiolan-5-yl]-, rel-, 5-FLUORO-(-)-L-2',3'-DIDEOXY-3'-THIACYTIDINE; (-)-BETA-2',3'-DIDEOXY-5-FLUORO-3'-THIACYTIDINE; EMTRICITABINE; EMTRIVA, Truvada, Mixture Name, Emtriva (TN), ATRIPLA, Coviracil (TN), Atripla (TN), Truvada (TN), UNII-ULS8902U4O, D0S9SD, Emtricitabine (JAN/USAN/INN), ULS8902U4O, CID60877, C8-H10-F-N3-O3-S, ACN-034500, CS-O-01419, (-)-2',3'-Dideoxy-5-fluoro-3'-thiacytidine, FTC, beta-L-2',3'-dideoxy-5-fluoro-3'-thiacytidine, Beta L 2',3' dideoxy 5 fluoro 3' thiacytidine, C122114, D000068679, 4-amino-5-fluoro-1-[ -2- -1,3-oxathiolan-5-yl]pyrimidin-2-one, 4-Amino-5-fluoro-1-[(2R,5S)-(hydroxymethyl)-1,3-oxathiolan-5-yl]-2(1H)-pyrimidinone, 2(1H)-Pyrimidinone, 4-amino-5-fluoro-1-[(2R,5S)-2-(hydroxymethyl)-1,3-oxathiolan-5-yl]-, 4-Amino-5-fluoro-1-(2-(hydroxymethyl)-1,3-oxathiolan-5-yl)-(2R-cis)-2(1H)-pyrimidinone, 4-Amino-5-fluoro-1-[(2R,5S)-2-(hydroxymethyl)-1,3-oxathiolan-5-yl]-2(1H)-pyrimidinone, Beta-L-(-)-(2R,5S)-5-Fluoro-1-[2-(hydroxymethyl)-1,3-oxathiolan-5-yl]cytosine, 4-amino-5-fluoro-1-((2R,5S)-2-(hydroxymethyl)-1,3-oxathiolan-5-yl)pyrimidin-2(1H)-one, 95% - 1G 1g, ETV,

Complexity	374
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	2
Defined Bond Stereocenter Count	0
Exact Mass	247.043g/mol
Formal Charge	0
Heavy Atom Count	16
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	247.244g/mol
Monoisotopic Mass	247.043g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	113A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	-0.6

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