AG003BAV

120964-45-6 | (-)-1-[(1R,4R,5S)-3-(Hydroxymethyl)-4,5-dihydroxy-2-cyclopenten-1-yl]4-aminoimidazo[4,5-c]pyridine hydrochloride, DZNep hydrochloride

AG003BAV

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CAS Number	120964-45-6
Catalog Number	AG003BAV(AGN-PC-0PFCEG)
Chemical Name	(-)-1-[(1R,4R,5S)-3-(Hydroxymethyl)-4,5-dihydroxy-2-cyclopenten-1-yl]4-aminoimidazo[4,5-c]pyridine hydrochloride, DZNep hydrochloride
IUPAC Name	(1S,2R,5R)-5-(4-aminoimidazo[4,5-c]pyridin-1-yl)-3-(hydroxymethyl)cyclopent-3-ene-1,2-diol;hydrochloride
InChI	InChI=1S/C12H14N4O3.ClH/c13-12-9-7(1-2-14-12)16(5-15-9)8-3-6(4-17)10(18)11(8)19;/h1-3,5,8,10-11,17-19H,4H2,(H2,13,14);1H/t8-,10-,11+;/m1./s1
InChI Key	UNSKMHKAFPRFTI-FDKLLANESA-N
MDL Number	MFCD18782644
Molecular Formula	C12H15ClN4O3
Molecular Weight	298.7255
SMILES	Cl.OCC1=C[C@H]([C@@H]([C@@H]1O)O)N1C=NC=2C(=NC=CC21)N
Synonyms	120964-45-6, 3-Deazaneplanocin A (hydrochloride), 3-deazaneplanocin A (DZNeP) HCl, 3-Deazaneplanocin A hydrochloride, DZNep, 3-Deazaneplanocin A (DZNep) hydrochloride, 3-Deazaneplanocin, HCl salt, C12H14N4O3.ClH, SCHEMBL4304150, DTXSID60561687, 2161AH, s7120, AKOS024458299, CS-0870, NSC 617989, HY-12186, A13947, W-5789, 3-Deazaneplanocin A hydrochloride, >=97% (HPLC), J-000556, (-)-1-[(1R,4R,5S)-3-(HydroxyMethyl)-4,5-dihydroxy-2-cyclopenten-1-yl]4-aMinoiMidazo[4,5-c]pyridinehydrochlorideDZNephydrochloride, (1S,2R,5R)-5-(4-Amino-1H-imidazo[4,5-c]pyridin-1-yl)-3-(hydroxymethyl)-3-cyclopentene-1,2-diol hydrochloride, (1S,2R,5R)-5-(4-Amino-1H-imidazo[4,5-c]pyridin-1-yl)-3-(hydroxymethyl)cyclopent-3-ene-1,2-diol--hydrogen chloride (1/1), (1S,2R,5R)-5-{4-amino-1H-imidazo[4,5-c]pyridin-1-yl}-3-(hydroxymethyl)cyclopent-3-ene-1,2-diol hydrochloride, UNSKMHKAFPRFTI-FDKLLANESA-N,

Complexity	378
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	2
Defined Atom Stereocenter Count	3
Defined Bond Stereocenter Count	0
Exact Mass	298.083g/mol
Formal Charge	0
Heavy Atom Count	20
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	5
Isotope Atom Count	0
Molecular Weight	298.727g/mol
Monoisotopic Mass	298.083g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	117A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0

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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