AG003P0J

4291-63-8 | (2R,3S,5R)-5-(6-amino-2-chloro-9H-purin-9-yl)-2-(hydroxymethyl)oxolan-3-ol

AG003P0J

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CAS Number	4291-63-8
Catalog Number	AG003P0J(AGN-PC-0OAD3Q)
Chemical Name	(2R,3S,5R)-5-(6-amino-2-chloro-9H-purin-9-yl)-2-(hydroxymethyl)oxolan-3-ol
IUPAC Name	(2R,3S,5R)-5-(6-amino-2-chloropurin-9-yl)-2-(hydroxymethyl)oxolan-3-ol
InChI	InChI=1S/C10H12ClN5O3/c11-10-14-8(12)7-9(15-10)16(3-13-7)6-1-4(18)5(2-17)19-6/h3-6,17-18H,1-2H2,(H2,12,14,15)/t4-,5+,6+/m0/s1
InChI Key	PTOAARAWEBMLNO-KVQBGUIXSA-N
MDL Number	MFCD00153939
Molecular Formula	C10H12ClN5O3
Molecular Weight	285.6870
SMILES	OC[C@@H]1[C@H](C[C@H](N2C=NC3=C2N=C(Cl)N=C3N)O1)O
UNII	47M74X9YT5
Synonyms	2'-Deoxy-2-chloroadenosine, 2-Chloro-2'-deoxyadenosine, 2-Chlorodeoxyadenosine, Cladribine, Leustatin, Cladribine, 2-Chloro-2'-deoxyadenosine, 4291-63-8, Leustatin, 2-Chlorodeoxyadenosine, 2-CdA, Chlorodeoxyadenosine, Cladarabine, CldAdo, Litak, 2-Chloro-2'-deoxy-beta-adenosine, ADENOSINE, 2-CHLORO-2'-DEOXY-, Cladaribine, Mylinax, 2ClAdo, RWJ 26251, UNII-47M74X9YT5, MLS000028377, NSC 105014-F, RWJ-26251, NSC 105014, BRN 0624220, Leustat, SMR000058553, 2-Chloro-6-amino-9-(2-deoxy-beta-D-erythropentofuranosyl)purine, CHEBI:567361, 47M74X9YT5, (2R,3S,5R)-5-(6-amino-2-chloropurin-9-yl)-2-(hydroxymethyl)oxolan-3-ol, MFCD00153939, 2CdA, Movectro, DSSTox_CID_2828, (2R,3S,5R)-5-(6-amino-2-chloro-9H-purin-9-yl)-2-(hydroxymethyl)oxolan-3-ol, (2R,3S,5R)-5-(6-amino-2-chloro-9H-purin-9-yl)-2-(hydroxymethyl)tetrahydrofuran-3-ol, DSSTox_RID_76747, DSSTox_GSID_22828, cladribina, cladribinum, mavenclad, Leustatin (TN), CL9, CAS-4291-63-8, Cladribine [USAN:INN:BAN], 2 Chlorodeoxyadenosine, 2-chloro-deoxyadenosine, SR-01000003063, Cladiribine, Cladribine (JAN/USAN/INN), CCRIS 9374, Adenosine, 2-chloro-2'-deoxy, HSDB 7564, NSC-105014, Cladribine [USAN:USP:INN:BAN], NCGC00018167-03, AK-46529, S1199, RWJ-26251-000, AC1L2FXP, 2-chloro-6-amino-9-(2-deoxy-beta-D-erythro-pentofuranosyl)purine, Opera_ID_1191, SCHEMBL3775, CHEMBL1619, 2-chloro-2'-deoxy-adenosine, cid_20279, MLS000028484, MLS000759397, MLS001077345, MLS001424194, GTPL4799, DTXSID8022828, BDBM38920, C10H12ClN5O3.C3H8, CTK8D4033, PTOAARAWEBMLNO-KVQBGUIXSA-N, HMS2052K13, HMS2232C23, HMS3715F17, ACT02615, BCP02868, ZINC3798064, Tox21_110834, Tox21_300596, CC0168, AKOS015854898, AKOS015892544, AC-7591, BCP9000538, CCG-101116, CS-2057, DB00242, NC00366, RTC-063884, NCGC00022567-05, NCGC00022567-06, NCGC00022567-07, NCGC00022567-08, NCGC00164384-01, NCGC00254518-01, 2-Chloro-2'-deoxyadenosine, antileukemic, AJ-45639, AS-12366, BR-46529, CC-25898, CJ-10765, CPD000058553, HY-13599, LS-15109, SAM001246526, SC-17356, AB0011806, AX8000129, ST2409775, TC-063884, FT-0080707, SW197746-4, D01370, S-7479, AB00382963-17, AB00382963_19, 291C638, A826062, C-17986, SR-01000003063-7, SR-01000003063-10, Cladribine, European Pharmacopoeia (EP) Reference Standard, 6-amino-2-chloro-9-(2-deoxy-beta-erythropentofuranosyl)purine, Cladribine, United States Pharmacopeia (USP) Reference Standard, 6-amino-2-chloro-9-(2-deoxy-beta-D-erythro-pentofuranosyl)purine, (2R,3S,5R)-5-(6-amino-2-chloro-9-purinyl)-2-(hydroxymethyl)-3-oxolanol, (2R,3S,5R)-5-(6-Amino-2-chloropurin-9-yl)-2-(hydroxymethyl)oxalan-3-ol, (2R,3S,5R)-5-(6-amino-2-chloro-purin-9-yl)-2-(hydroxymethyl)tetrahydrofuran-3-ol, (2R,3S,5R)-5-(6-azanyl-2-chloranyl-purin-9-yl)-2-(hydroxymethyl)oxolan-3-ol, Cladribine for peak identification, European Pharmacopoeia (EP) Reference Standard, Leustatin|||2-Chloro-2'-deoxyadenosine|||2-CdA|||NSC-105014-F|||(2R,3S,5R)-5-(6-Amino-2-chloropurin-9-yl)-2-(hydroxymethyl)oxolan-3-ol, 2'-Deoxy-2-chloroadenosine, D05GJW, C10H12ClN5O3, Cladribine [USAN:BAN:INN], C10-H12-Cl-N5-O3, CID20279, NSC105014, ACN-040521, A2187, Leustatin, 2-chlorodeoxyadenosine, Cladribine, A10223, D017338, 2-Chloro-2'-deoxyadenosine, 99% - 100MG 100mg, 123318-82-1, 5542-92-7, CDA,

Complexity	338
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	3
Defined Bond Stereocenter Count	0
Exact Mass	285.063g/mol
Formal Charge	0
Heavy Atom Count	19
Hydrogen Bond Acceptor Count	7
Hydrogen Bond Donor Count	3
Isotope Atom Count	0
Molecular Weight	285.688g/mol
Monoisotopic Mass	285.063g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	119A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0.8

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	6.1
Hazard statements	H302+H312+H332-H315-H319-H335-H350-H360
Packing Group	Ⅲ
Precautionary statements	P261-P280-P305+P351+P338
UN Code	UN 2811

Certificate of Analysis

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