AG00I6RH

3424-98-4 | 1-[(2S,4R,5S)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-methyl-1,2,3,4-tetrahydropyrimidine-2,4-dione

AG00I6RH

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CAS Number	3424-98-4
Catalog Number	AG00I6RH(AGN-PC-0WADMB)
Chemical Name	1-[(2S,4R,5S)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-methyl-1,2,3,4-tetrahydropyrimidine-2,4-dione
EC Number	608-961-3
IUPAC Name	1-[(2S,4R,5S)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione
InChI	InChI=1S/C10H14N2O5/c1-5-3-12(10(16)11-9(5)15)8-2-6(14)7(4-13)17-8/h3,6-8,13-14H,2,4H2,1H3,(H,11,15,16)/t6-,7+,8+/m1/s1
InChI Key	IQFYYKKMVGJFEH-CSMHCCOUSA-N
MDL Number	MFCD02683612
Molecular Formula	C10H14N2O5
Molecular Weight	242.2286
SMILES	O=c1n(cc(c(=O)[nH]1)C)[C@H]1O[C@H]([C@@H](C1)O)CO
UNII	2OC4HKD3SF
Synonyms	1-(2-deoxy-beta-L-erythropentafuranosyl)-5-methyl-2,4(1H,3H)-pyrimidinedione, beta L 2' Deoxythymidine, beta-L-2'-deoxythymidine, telbivudin, telbivudine, Tyzeka, Telbivudine, Epavudine, 2'-Deoxy-L-thymidine, L-Thymidine, beta-L-Thymidine, Tyzeka, L-dT, Telbivudin, Sebivo, 3424-98-4, L-Deoxythymidine, NV-02B, LDT600, NV 02B, LdT, UNII-2OC4HKD3SF, CHEBI:63624, 2OC4HKD3SF, 26879-47-0, 1-(2-Deoxy-beta-L-erythro-pentofuranosyl)-5-methylpyrimidine-2,4(1H,3H)-dione, MFCD02683612, 1-[(2S,4R,5S)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione, 1-(2-deoxy-beta-L-ribofuranosyl)-5-methyluracil, 1-((2S,4R,5S)-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl)-5-methylpyrimidine-2,4(1H,3H)-dione, Thymine, 1-(2-deoxy-beta-L-erythro-pentofuranosyl)-, Telbivudine [USAN], beta-L-2'-Deoxythymidine, 2,4(1H,3H)-Pyrimidinedione, 1-(2-deoxy-b-L-erythro-pentofuranosyl)-5-methyl-, 1-[(2S,4R,5S)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-methyl-1,2,3,4-tetrahydropyrimidine-2,4-dione, 1-[(2S,4R,5S)-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-5-methyl-pyrimidine-2,4-dione, LLT, Tyzeka (TN), NB 02B, Telbivudine (USAN/INN), Telbivudine [USAN:INN:BAN], Sebivo;Tyzeka, LDT-600, 2-Deoxy-L-thymidine, AC1L4LJI, b-L-2'-deoxy-thymidine, 1-(2-Deoxy-beta-L-erythropentafuranosyl)-5-methyl-2,4(1H,3H)-pyrimidinedione, Telbivudine(Tyzeka, Sebivo), SCHEMBL124279, Telbivudine (Sebivo, Tyzeka), CHEMBL374731, ZINC2159, Telbivudine, >=98% (HPLC), DTXSID30187813, IQFYYKKMVGJFEH-CSMHCCOUSA-N, HY-B0017, BDBM50088372, CT-990, GC4386, s1651, AKOS025117349, AC-5632, API0025947, CS-1934, DB01265, SB20806, 1-(2-Deoxy-beta-L-erythro-pentofuranosyl)-5-methyl-2,4(1H,3H)-Pyrimidinedione, NCGC00346560-01, AN-10762, AS-35209, BC257880, ZB000493, AB2000195, LS-186402, LS-187347, SW220236-1, D06675, AB01274717-01, AB01274717_02, I14-8810, BRD-K15976406-001-01-7, Thymine, 1-(2-deoxy-.beta.-L-erythro-pentofuranosyl)-, Z2574360267, 1-[(2s,4r,5s)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-methyl-pyrimidine-2,4-dione, 1-((2S,4S,5S)-4-hydroxy-5-(hydroxymethyl)-tetrahydrofuran-2-yl)-5-methylpyrimidine-2,4(1H,3H)-dione, thymidine, Telbivudine[USAN], 5-methyl-l-uridine, Thymine deoxyriboside, Tyzake/Sebivo (TN), beta L 2' Deoxythymidine, D0CL9S, Tyzeka, Sebivo, Telbivudine, 1-beta-l-ribofuranosylthymine, CID159269, C10-H14-N2-O5, ACN-028822, 1,2'-deoxy-beta-L-ribofuranosylthymine, A8530, 2'-Deoxy-L-thymidine, 98% - 10mg 10mg, 1-(2-Deoxy-beta-D-ribofuranosyl)-5-methyluracil, C487779, 5-Methyl-1-beta-L-ribofuranosyl-2,4 -pyrimidinedione, D000077712, 50-89-5, 2,4(1H,3H)-Pyrimidinedione, 1-(2-deoxy-beta-L-erythro-pentofuranosyl)-5-methyl-,

Complexity	381
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	3
Defined Bond Stereocenter Count	0
Exact Mass	242.09g/mol
Formal Charge	0
Heavy Atom Count	17
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	3
Isotope Atom Count	0
Molecular Weight	242.231g/mol
Monoisotopic Mass	242.09g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	99.1A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	-1.2

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302
Packing Group
Precautionary statements	P280-P305+P351+P338
UN Code

Certificate of Analysis

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