AG00I94P

50924-49-7 | 1H-Imidazole-4-carboxamide, 5-hydroxy-1-b-D-ribofuranosyl-

AG00I94P

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CAS Number	50924-49-7
Catalog Number	AG00I94P(AGN-PC-0S9D5E)
Chemical Name	1H-Imidazole-4-carboxamide, 5-hydroxy-1-b-D-ribofuranosyl-
IUPAC Name	1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-hydroxyimidazole-4-carboxamide
InChI	InChI=1S/C9H13N3O6/c10-7(16)4-8(17)12(2-11-4)9-6(15)5(14)3(1-13)18-9/h2-3,5-6,9,13-15,17H,1H2,(H2,10,16)/t3-,5-,6-,9-/m1/s1
InChI Key	HZQDCMWJEBCWBR-UUOKFMHZSA-N
MDL Number	MFCD30181862
Molecular Formula	C9H13N3O6
Molecular Weight	259.2160
SMILES	O=C(C1=C(O)N([C@H]2[C@@H]([C@@H]([C@@H](CO)O2)O)O)C=N1)N
UNII	4JR41A10VP
Synonyms	bredinin, mizoribine, mizoribine 5'-monophosphate, mizoribine, 50924-49-7, Bredinin, Bredinine, Mizoribine [INN:JAN], Mizoribinum [INN-Latin], Mizoribina [INN-Spanish], HE-69, UNII-4JR41A10VP, MLS000028813, 5-Hydroxy-1-beta-D-ribofuranosyl-1H-imidazole-4-carboxamide, BRN 4151713, SMR000058473, 4-Carbamoyl-1-beta-D-ribofuranosyl-imidazolium-5-olate, 4JR41A10VP, HE 69, Anhydro-4-carbamoyl-5-hydroxy-1-beta-D-ribofuranosyl-imidazolium hydroxide, MFCD00057221, 1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-hydroxyimidazole-4-carboxamide, 5-Hydroxy-1-beta-D-ribofuranosylimidazole-4-carboxamide, MZR, NCGC00094087-01, Mizoribinum, Mizoribina, 1H-Imidazole-4-carboxamide, 5-hydroxy-1-beta-D-ribofuranosyl-, DSSTox_CID_25777, DSSTox_RID_81119, DSSTox_GSID_45777, 1-((2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl)-5-hydroxy-1H-imidazole-4-carboxamide, Bredinin (TN), 1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-hydroxy-1H-imidazole-4-carboxamide, 50524-49-7, CAS-50924-49-7, SR-01000075989, NSC 289637, AK162477, 4-carbamoyl-1-b-d-ribofuranosylimidazolium-5-olate, Mizoribine(Bredinin), HS-0046, Mizoribine (Bredinin), Opera_ID_1558, Spectrum2_001559, Spectrum3_000739, Spectrum4_000220, Spectrum5_001671, Mizoribine (JP17/INN), M 3047, AC1L2XG8, SCHEMBL7118, Lopac0_000745, BSPBio_002298, KBioGR_000859, MLS001076272, MLS006010038, DivK1c_000948, SPBio_001438, 4-carbamoyl-1-beta-D-ribofuranosylimidazolium-5-olate, AC1Q5G14, CHEMBL245019, cid_104762, Mizoribine, >=98% (TLC), DTXSID8045777, BDBM68669, CHEBI:31858, CTK8G1133, HMS502P10, KBio1_000948, KBio3_001518, KS-00000XHM, N'-(beta-D-Ribofuranosyl)-5-hydroxyimidazole-4-carboxamide, HZQDCMWJEBCWBR-UUOKFMHZSA-N, NINDS_000948, HMS2230D04, HMS3262E12, N'-(beta-D-Ribofuranosyl)-5-hydroxy-imida-zole-4-carboxamide, EX-A2256, ZINC3812887, Tox21_111242, Tox21_500745, CCG-39778, QC-367, s1384, AKOS015994615, Tox21_111242_1, AC-5266, API0003412, BCP9000933, CS-1823, DB12617, LP00745, HE 69;NSC 289637;MZB;Bredinin, IDI1_000948, SMP1_000195, NCGC00094087-02, NCGC00094087-03, NCGC00094087-04, NCGC00094087-05, NCGC00261430-01, BC678195, HY-17470, LS-78195, Q571, SC-79295, BCP0726000318, SBI-0050723.P003, AB0017672, AB2000078, AX8140206, EU-0100745, FT-0630635, FT-0652030, ST24048110, A10597, A16794, D01392, AB00053323_12, AB00053323_13, 924M497, J-700185, SR-01000075989-1, SR-01000075989-4, 4-Carbamoyl-1-(beta-D-ribofuranosyl)-5-oxylatoimidazolium, 5-hydroxy-1-b-D-ribofuranosyl-1H-Imidazole-4-carboxamide, Bredinin, HE 69, NSC 289637, MZB, 50924-49-7, 1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)-2-oxolanyl]-5-hydroxy-4-imidazolecarboxamide, 1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-5-hydroxy-imidazole-4-carboxamide, 1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-methylol-tetrahydrofuran-2-yl]-5-hydroxy-imidazole-4-carboxamide, 1-[(2R,3R,4S,5R)-5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]-5-oxidanyl-imidazole-4-carboxamide, Bredinin|||HE-69|||NSC-289637|||1-[(2R,3R,4S,5R)-3,4-Dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-hydroxyimidazole-4-carboxamide, beta-Bredinin, Mizoribine/Bredinin, Mizoribine (JAN/INN), mizoribine 5'-monophosphate, D0G5AG, C9H13N3O6, AR-1G1414, C9-H13-N3-O6, CID104762, NSC289637, B1472, C010052, Bredinin, HE 69, NSC 289637, MZB, Mizoribine, 5-Hydroxy-1-(Beta-D-Ribofuranosyl)-1h-Imidazole-4-Carboxamide, 1H-Imidazole-4-carboxamide, 5-hydroxy-1-.beta.-D-ribofuranosyl-, Mizoribine, 98%, a DNA/RNA synthesis inhibitor - 100MG 100mg, 1000025-07-9, 52377-68-1,

Complexity	329
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	4
Defined Bond Stereocenter Count	0
Exact Mass	259.08g/mol
Formal Charge	0
Heavy Atom Count	18
Hydrogen Bond Acceptor Count	7
Hydrogen Bond Donor Count	5
Isotope Atom Count	0
Molecular Weight	259.218g/mol
Monoisotopic Mass	259.08g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	151A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	-1.9

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H332-H335
Packing Group
Precautionary statements	P280-P305+P351+P338-P310
UN Code

Certificate of Analysis

Lot Number