AG00ABKQ

158013-42-4 | iodoHoechst 33258

AG00ABKQ

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CAS Number	158013-42-4
Catalog Number	AG00ABKQ(AGN-PC-0O4IC7)
Chemical Name	iodoHoechst 33258
IUPAC Name	2-(3-iodophenyl)-6-[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-1H-benzimidazole
InChI	InChI=1S/C25H23IN6/c1-31-9-11-32(12-10-31)19-6-8-21-23(15-19)30-25(28-21)17-5-7-20-22(14-17)29-24(27-20)16-3-2-4-18(26)13-16/h2-8,13-15H,9-12H2,1H3,(H,27,29)(H,28,30)
InChI Key	ZEXOKHKEQNNOBG-UHFFFAOYSA-N
MDL Number	MFCD25976767
Molecular Formula	C25H23IN6
Molecular Weight	534.3948
SMILES	C1(C2C=C3NC(C4=CC=CC(I)=C4)=NC3=CC=2)NC2=CC(N3CCN(C)CC3)=CC=C2N=1
Synonyms	meta-iodoHoechst 33258, 158013-42-4, 2-(3-iodophenyl)-6-[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-1H-benzimidazole, AC1L9N6P, ZINC2047211, AKOS030526596, CS-1310, HY-15622, 2972-EP2269610A2, 2972-EP2269988A2, 2972-EP2269990A1, 2972-EP2270008A1, 2972-EP2270014A1, 2972-EP2270018A1, 2972-EP2270113A1, 2972-EP2272517A1, 2972-EP2272825A2, 2972-EP2272826A1, 2972-EP2272935A1, 2972-EP2272972A1, 2972-EP2272973A1, 2972-EP2275105A1, 2972-EP2275411A2, 2972-EP2275412A1, 2972-EP2275416A1, 2972-EP2275422A1, 2972-EP2277848A1, 2972-EP2277862A2, 2972-EP2277866A1, 2972-EP2277872A1, 2972-EP2277881A1, 2972-EP2280000A1, 2972-EP2280006A1, 2972-EP2280008A2, 2972-EP2280011A1, 2972-EP2281563A1, 2972-EP2281813A1, 2972-EP2281823A2, 2972-EP2281824A1, 2972-EP2284166A1, 2972-EP2286811A1, 2972-EP2287157A1, 2972-EP2287165A2, 2972-EP2287166A2, 2972-EP2289510A1, 2972-EP2289868A1, 2972-EP2289880A1, 2972-EP2289881A1, 2972-EP2289885A1, 2972-EP2289887A2, 2972-EP2289888A2, 2972-EP2289894A2, 2972-EP2289897A1, 2972-EP2292228A1, 2972-EP2292590A2, 2972-EP2292615A1, 2972-EP2292619A1, 2972-EP2292620A2, 2972-EP2292630A1, 2972-EP2295053A1, 2972-EP2295406A1, 2972-EP2295408A1, 2972-EP2295409A1, 2972-EP2295410A1, 2972-EP2295412A1, 2972-EP2295413A1, 2972-EP2295429A1, 2972-EP2295434A2, 2972-EP2295436A1, 2972-EP2295439A1, 2972-EP2295441A2, 2972-EP2295550A2, 2972-EP2298305A1, 2972-EP2298735A1, 2972-EP2298738A1, 2972-EP2298742A1, 2972-EP2298744A2, 2972-EP2298755A1, 2972-EP2298757A2, 2972-EP2298773A1, 2972-EP2298779A1, 2972-EP2298780A1, 2972-EP2301544A1, 2972-EP2301929A1, 2972-EP2301930A1, 2972-EP2301935A1, 2972-EP2301939A1, 2972-EP2302132A1, 2972-EP2305250A1, 2972-EP2305629A1, 2972-EP2305633A1, 2972-EP2305636A1, 2972-EP2305643A1, 2972-EP2305655A2, 2972-EP2305660A1, 2972-EP2305662A1, 2972-EP2305663A1, 2972-EP2305671A1, 2972-EP2305674A1, 2972-EP2305675A1, 2972-EP2305679A1, 2972-EP2305695A2, 2972-EP2305696A2, 2972-EP2305697A2, 2972-EP2305698A2, 2972-EP2308509A1, 2972-EP2308828A2, 2972-EP2308833A2, 2972-EP2308838A1, 2972-EP2308839A1, 2972-EP2308840A1, 2972-EP2308844A2, 2972-EP2308845A2, 2972-EP2308846A2, 2972-EP2308848A1, 2972-EP2308849A1, 2972-EP2308850A1, 2972-EP2308852A1, 2972-EP2308867A2, 2972-EP2308870A2, 2972-EP2308872A1, 2972-EP2308874A1, 2972-EP2308878A2, 2972-EP2308880A1, 2972-EP2308883A1, 2972-EP2308960A1, 2972-EP2311464A1, 2972-EP2311830A1, 2972-EP2311836A1, 2972-EP2311841A1, 2972-EP2314576A1, 2972-EP2314582A1, 2972-EP2314584A1, 2972-EP2314585A1, 2972-EP2314590A1, 2972-EP2316457A1, 2972-EP2316458A1, 2972-EP2316459A1, 2972-EP2316825A1, 2972-EP2316826A1, 2972-EP2316828A1, 2972-EP2316829A1, 2972-EP2371814A1, 2972-EP2371823A1, 2972-EP2374454A1, 2972-EP2374790A1, 2972-EP2374792A1, 2972-EP2380867A1, W-6101, 2'-(3-Iodophenyl)-6-(4-methyl-1-piperazinyl)-2,6'-bi[1H-benzimidazole], Metaiodohoechst, Iodohoechst 33258, ZEXOKHKEQNNOBG-UHFFFAOYSA-N, CID449492, A15158, IA, 2'-(3-IODOPHENYL)-5-(4-METHYL-1-PIPERAZINYL)-2,5'-BI-BENZIMIDAZOLE,

Complexity	642
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	534.103g/mol
Formal Charge	0
Heavy Atom Count	32
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	534.405g/mol
Monoisotopic Mass	534.103g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	63.8A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	5

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302
Packing Group
Precautionary statements	P280-P305+P351+P338
UN Code

Certificate of Analysis

Lot Number