AG002NLT

2353-33-5 | 4-amino-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-1,2-dihydro-1,3,5-triazin-2-one

AG002NLT

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CAS Number	2353-33-5
Catalog Number	AG002NLT(AGN-PC-0QZRD7)
Chemical Name	4-amino-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-1,2-dihydro-1,3,5-triazin-2-one
EC Number	219-089-4
IUPAC Name	4-amino-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-1,3,5-triazin-2-one
InChI	InChI=1S/C8H12N4O4/c9-7-10-3-12(8(15)11-7)6-1-4(14)5(2-13)16-6/h3-6,13-14H,1-2H2,(H2,9,11,15)/t4-,5+,6+/m0/s1
InChI Key	XAUDJQYHKZQPEU-KVQBGUIXSA-N
MDL Number	MFCD00043011
Molecular Formula	C8H12N4O4
Molecular Weight	228.2053
SMILES	OC[C@H]1O[C@H](C[C@@H]1O)n1cnc(nc1=O)N
UNII	776B62CQ27
Synonyms	2' Deoxy 5 azacytidine, 2'-deoxy-5-azacytidine, 5 Aza 2' deoxycytidine, 5 Azadeoxycytidine, 5 Deoxyazacytidine, 5-aza-2'-deoxycytidine, 5-AzadC, 5-azadeoxycytidine, 5-deoxyazacytidine, 5AzadC, AzadC compound, Compound, AzadC, Dacogen, decitabine, decitabine mesylate, Mesylate, Decitabine, NSC 127716, NSC-127716, NSC127716, Decitabine, 5-Aza-2'-deoxycytidine, 2353-33-5, Dacogen, 2'-Deoxy-5-azacytidine, 5-Azadeoxycytidine, AzadC, Dezocitidine, 5-aza-CdR, 5-aza-dC, NSC 127716, 5-aza-2-deoxycytidine, UNII-776B62CQ27, 5A2dc, 4-amino-1-((2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl)-1,3,5-triazin-2(1H)-one, 4-Amino-1-(2-deoxy-beta-D-erythro-pentofuranosyl)-1,3,5-triazin-2(1H)-one, 5-Deoxy-2′-azacytidine, MLS001332587, 5-Aza-2′-Deoxycytidine, CHEBI:50131, 4-Amino-1-(2-deoxy-beta-D-erythro-pentofuranosyl)-s-triazin-2(1H)-one, MFCD00043011, 4-amino-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-1,3,5-triazin-2-one, 776B62CQ27, Dac, SMR000857076, 2-Desoxy-5-azacytidine, DSSTox_CID_10432, DSSTox_RID_78849, DSSTox_GSID_30432, Decitabine [USAN:INN:BAN], C8H12N4O4, 5-Aza-2'-deoxycytidine, 98%, 5-AZAdC, EINECS 219-089-4, NSC127716, s-Triazin-2(1H)-one, 4-amino-1-(2-deoxy-beta-D-erythro-pentofuranosyl)-, 2-deoxyazacytidine, 4-amino-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-1,3,5-triazin-2-one, BRN 0617982, Dacogen (TN), CAS-2353-33-5, 5-Aza-deoxycytidine, NCGC_5ADOC, Decitabine (USAN/INN), CCRIS 8227, 4-Amino-1-(2-deoxy-beta-D-ribofuranosyl)-1,3,5-triazin-2(1H)-one, 4-amino-1-(2-deoxy-beta-d-erythro-pentofuranosyl)-s-triazin-2(1h)-on, NCGC00166088-01, deoxy-5-azacytidine, PubChem19115, JNJ 30979754, JNJ-30979754, MolMap_000063, E-7373, AC1L9PS9, SCHEMBL4006, cc-571, MLS001332588, MLS006010136, BIFK0051, cid_451668, EOS114, GTPL6805, CHEMBL1201129, DTXSID7030432, BDBM96274, CTK1A2018, EX-A961, SYN3036, 1,3,5-Triazin-2(1H)-one, 4-amino-1-(2-deoxy-beta-D-erythro-pentofuranosyl)-, XAUDJQYHKZQPEU-KVQBGUIXSA-N, HMS2235O03, HMS3677L07, ACT00147, BCP02870, HY-A0004, 5-Aza-2'-deoxycytidine, >=97%, Tox21_112311, ABP001084, ANW-25144, CA-714, s1200, ZINC16929327, 4-Amino-1-(2-deoxy-?-D-erythro-pentofuranosyl)-1,3,5-triazin-2(1H)-one, AKOS015895047, Tox21_112311_1, AC-1135, API0002229, BCP9000593, CCG-208143, CS-0372, DB01262, RL02744, SB18982, Decitabine (NSC127716, 5AZA-CdR), NCGC00166088-02, NCGC00166088-05, AS-17558, BC677683, CC-26303, SC-19951, BCP0726000271, AB0020011, DB-029060, TL8001944, FT-0082622, SW218076-2, V0702, D03665, J10097, W-5049, AB00918337-07, AB00918337_08, 353A335, C-13049, SR-01000838879, J-700084, SR-01000838879-4, decitabine (2 inverted exclamation marka-deoxy-5-azacytidine).cd, 4-Amino-1-(2-deoxy-bet.-D-ribofuranosyl)-1,3,5-triazin-2(1H)-one, 1,3, 5-Triazin-2(1H)-one, 4-amino-1-(2-deoxy--D-erythro-pentofuranosyl)-, 4-amino-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-1,2-dihydro-1,3,5-triazin-2-one, deoxycytidine, -azacytidine, -Deoxycytidine, AzadC compound, decitabine mesylate, Compound, AzadC, 5-deoxyazacytidine, decitabine mesilate, 5 Azadeoxycytidine, 5 Deoxyazacytidine, 5AzadC, 5-Deoxy-2&prime, Mesylate, Decitabine, 5-Aza-2&prime, 2' Deoxy 5 azacytidine, 5 Aza 2' deoxycytidine, D0X5XU, Decitabine [USAN:BAN:INN], NSC-127716, C8-H12-N4-O4, CID451668, ACN-034471, CS-O-01351, A1906, A10292, C014347, D000077209, Dacogen, 5-aza-2'-deoxycytidine,NSC 127716, Dacogen, DAC, Decitabine, 1,3,5-Triazin-2(1H)-one, 4-amino-1-(2-deoxy-.beta.-D-erythro-pentofuranosyl)-, 5-Aza-2'-deoxycytidine, 99%, a potent inhibitor of DNA methyltransferase - 100MG 100mg, s-Triazin-2(1H)-one, 4-amino-1-(2-deoxy-.beta.-D-erythro-pentofuranosyl)-,

Complexity	356
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	3
Defined Bond Stereocenter Count	0
Exact Mass	228.086g/mol
Formal Charge	0
Heavy Atom Count	16
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	3
Isotope Atom Count	0
Molecular Weight	228.208g/mol
Monoisotopic Mass	228.086g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	121A^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-H315-H319-H335-H341-H360
Packing Group
Precautionary statements	P202-P280-P405-P501-P201-P261-P281-P305+P351+P338-P308+P313-P501a
UN Code

Certificate of Analysis

Lot Number