AG000KCJ

123318-82-1 | (2R,3R,4S,5R)-5-(6-amino-2-chloro-9H-purin-9-yl)-4-fluoro-2-(hydroxymethyl)oxolan-3-ol

AG000KCJ

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CAS Number	123318-82-1
Catalog Number	AG000KCJ(AGN-PC-0PHCIM)
Chemical Name	(2R,3R,4S,5R)-5-(6-amino-2-chloro-9H-purin-9-yl)-4-fluoro-2-(hydroxymethyl)oxolan-3-ol
IUPAC Name	(2R,3R,4S,5R)-5-(6-amino-2-chloropurin-9-yl)-4-fluoro-2-(hydroxymethyl)oxolan-3-ol
InChI	InChI=1S/C10H11ClFN5O3/c11-10-15-7(13)5-8(16-10)17(2-14-5)9-4(12)6(19)3(1-18)20-9/h2-4,6,9,18-19H,1H2,(H2,13,15,16)/t3-,4+,6-,9-/m1/s1
InChI Key	WDDPHFBMKLOVOX-AYQXTPAHSA-N
MDL Number	MFCD00871077
Molecular Formula	C10H11ClFN5O3
Molecular Weight	303.6774
SMILES	ClC1=NC(=C2N=CN(C2=N1)[C@H]1[C@H]([C@H](O)[C@H](O1)CO)F)N
UNII	762RDY0Y2H
Synonyms	2 Chloro 2' arabino fluoro 2' deoxyadenosine, 2 Chloro 2' fluoroarabino 2' deoxyadenosine, 2-chloro-2'-arabino-fluoro-2'-deoxyadenosine, 2-chloro-2'-fluoroarabino-2'-deoxyadenosine, 2-chloro-9-(2-deoxy-2-fluoro-beta-D-arbinofuranosyl)adenine, 2-chloro-9-(2-deoxy-2-fluoroarabinofuranosyl)adenine, Cl-F-ara-A, clofarabine, Clofarex, Clolar, Evoltra, Clofarabine, 123318-82-1, Clolar, Evoltra, Clofarex, CAFdA, clofarabina, clofarabinum, C1-F-Ara-A, UNII-762RDY0Y2H, 2-Chloro-9-(2-deoxy-2-fluoro-beta-D-arabinofuranosyl)-9H-purin-6-amine, 2-Chloro-9-(2-deoxy-2-fluoro-beta-D-arabinofuranosyl)adenine, (2R,3R,4S,5R)-5-(6-amino-2-chloropurin-9-yl)-4-fluoro-2-(hydroxymethyl)oxolan-3-ol, 762RDY0Y2H, CHEBI:681569, MFCD00871077, (2R,3R,4S,5R)-5-(6-amino-2-chloro-9H-purin-9-yl)-4-fluoro-2-(hydroxymethyl)tetrahydrofuran-3-ol, 2-Chloro-9-(2-deoxy-2-fluoro-b-D-arabinofuranosyl)-9H-purin-6-amine, 9H-Purin-6-amine, 2-chloro-9-(2-deoxy-2-fluoro-beta-D-arabinofuranosyl)-, DSSTox_CID_26437, DSSTox_RID_81613, DSSTox_GSID_46437, CFB, Clofarabine [USAN], Cl-F-Ara-A, Cl-F-araA, 2-Chloro-9-(2-Deoxy-2-Fluoro-B -D-Arabinofuranosyl)-9h-Purin-6-Amine, 5-(6-amino-2-chloro-purin-9-yl)-4-fluoro-2-(hydroxymethyl)oxolan-3-ol, (2R,3R,4S,5R)-5-(6-amino-2-chloro-9H-purin-9-yl)-4-fluoro-2-(hydroxymethyl)oxolan-3-ol, (2R,3R,4S,5R)-5-(6-amino-2-chloro-purin-9-yl)-4-fluoro-2-(hydroxymethyl)tetrahydrofuran-3-ol, Clolar (TN), CAS-123318-82-1, 2-Cl-2'-F-araA, C10H11ClFN5O3, Clofarabin, Clofarabine [USAN:INN:BAN], NCGC00164553-01, PubChem19116, 2-chloro-2'-arabino-fluoro-2'-deoxyadenosine, AC1L3OC8, Clofarabine,Clolar, Evoltra, SCHEMBL9040, CHEMBL1750, MLS003915615, 3S211048, Clofarabine (JAN/USAN/INN), BIFK0045, GTPL6802, DTXSID5046437, Clofarabine, >=98% (HPLC), WDDPHFBMKLOVOX-AYQXTPAHSA-N, HMS2090A07, HMS3677J15, 2-chloro-9-(2'-deoxy-2'-fluoro-beta-D-arabinofuranosyl)adenine, ACT05522, BCP23422, HY-A0005, ZINC3798247, Tox21_112182, AC-274, s1218, AKOS005063562, AKOS015919355, Tox21_112182_1, API0002064, BCP9000540, CS-0373, DB00631, MCULE-2276059681, SAR-393590, SB17339, NCGC00164553-02, AN-15999, AS-12958, BC222364, CC-25917, SC-22779, SMR002530055, BCP0726000280, LS-126466, FT-0082882, FT-0601617, ST24046359, SW218080-2, KS-00000650, D03546, W-5182, AB00430247-03, AB00430247-04, AB00430247_06, 318C821, C-18934, SR-01000930565, SR-01000930565-3, Z1557400138, 2-chloro-9-(2-deoxy-2-fluoro-beta-d-arabinofuranosyl)-adenine, 2-Chloro-9-(2-deoxy-2-fluoro-?-D-arabinofuranosyl)-9H-purin-6-amine, 9H-Purine-6-amine,2-chloro-9-(2-deoxy-2-fluoro-beta-D-arabinofuranosyl)-, (2R,3R,4S,5R)-5-(6-amino-2-chloropurin-9-yl)-4-fluoro-2-(hydroxymethyl)oxolan-3-ol, 2-chloro-2'-arabino-fluoro-2'-deoxyadenosine, Cladribine, Clofarbine, Evoltra (TN), Clofarabine (USAN/INN), D0R5RR, Clolar, Evoltra, Clofarabine, cc-157, C10-H11-Cl-F-N5-O3, CID119182, CS-O-01201, 2 Chloro 2' fluoroarabino 2' deoxyadenosine, 2-chloro-2'-fluoroarabino-2'-deoxyadenosine, A1412, 2 Chloro 2' arabino fluoro 2' deoxyadenosine, A10228, Clofarabine, CAFdA, 2-Cl-2'-F-araA, Clofarex, C068329, 2-chloro-9-(2-deoxy-2-fluoroarabinofuranosyl)adenine, D000077866, 2-chloro-9-(2-deoxy-2-fluoro-beta-D-arbinofuranosyl)adenine, Clofarabine, 98%, a ribonucleotide reductase inhibitor - 100MG 100mg,

Complexity	370
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	4
Defined Bond Stereocenter Count	0
Exact Mass	303.053g/mol
Formal Charge	0
Heavy Atom Count	20
Hydrogen Bond Acceptor Count	8
Hydrogen Bond Donor Count	3
Isotope Atom Count	0
Molecular Weight	303.678g/mol
Monoisotopic Mass	303.053g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	119A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0.9

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	6.1
Hazard statements	H300
Packing Group	Ⅲ
Precautionary statements	P264-P301+P310
UN Code	UN 2811

Certificate of Analysis

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