2-CL-IB-MECA ,163042-96-4 _Chemical Cloud Database

2-CL-IB-MECA

Basic Information
Product Name：	2-CL-IB-MECA
CAS：	163042-96-4
English Synonyms：	CHLORO-IB-MECA ; 1-[2-CHLORO-6-[[(3-IODOPHENYL)METHYL]AMINO]-9H-PURIN-9-YL]-1-DEOXY-N-METHYL-BETA-D-RIBOFURANURONAMIDE ; 2-CL-IB-MECA ; 2-CHLORO-N6-(3-IODOBENZYL)-ADENOSINE-5'-N-METHYLURONAMIDE ; CL-IB-MECA
MDL Number.：	MFCD01861178
H bond acceptor：	10
H bond donor：	4
Smile：	CNC(=O)[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2nc(nc3NCc4cccc(c4)I)Cl)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/s1
InChiKey：	InChIKey=IPSYPUKKXMNCNQ-PFHKOEEOSA-N
Property
Safety information
Symbol：	GHS07
Signal word：	Warning
Hazard statements：	H315-H319-H335
Precautionary statements：	P261-P305 + P351 + P338
hazard symbol：	Xi
Risk Code：	R:36/37/38
Safe Code：	S:26-36
WGK Germany：	3

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