
Clinical data
Other namesChloro-IB-MECA; 2-Cl-IB-MECA
Legal status
Legal statusInvestigational
Identifiers
IUPAC name (2S,3S,4R,5R)-5-[2-Chloro-6-[(3-iodophenyl)methylamino]purin-9-yl]-3,4-dihydroxy-N-methyloxolane-2-carboxamide
CAS Number
PubChem CID
IUPHAR/BPS
DrugBank
ChemSpider
UNII
KEGG
ChEMBL
CompTox Dashboard (EPA)
ECHA InfoCard
Chemical and physical data
FormulaC18H18ClIN6O4
Molar mass544.73 g·mol−1
3D model (JSmol)
SMILES CNC(=O)[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=NC3=C(N=C(N=C32)Cl)NCC4=CC(=CC=C4)I)O)O
InChI InChI=1S/C18H18ClIN6O4/c1-21-16(29)13-11(27)12(28)17(30-13)26-7-23-10-14(24-18(19)25-15(10)26)22-6-8-3-2-4-9(20)5-8/h2-5,7,11-13,17,27-28H,6H2,1H3,(H,21,29)(H,22,24,25)/t11-,12+,13-,17+/m0/s1Key:IPSYPUKKXMNCNQ-PFHKOEEOSA-N