4,5-BENZO-5'-(IODOACETAMINOMETHYL)-1',3,3,3',3'-PENTAMETHYL-1-(4-SULFOBUTYL)INDODICARBOCYANINE

pro_cas
149021-66-9
pro_cdbregno
CCD00263834
pro_formula
C37 H42 I N3 O4 S
pro_molWeight
751.722

basic_info

Product_Name: 4,5-BENZO-5'-(IODOACETAMINOMETHYL)-1',3,3,3',3'-PENTAMETHYL-1-(4-SULFOBUTYL)INDODICARBOCYANINE
CAS: 149021-66-9
EnglishSynonyms: NIR-664-IODOACETAMIDE ; 4,5-BENZO-5'-(IODOACETAMINOMETHYL)-1',3,3,3',3'-PENTAMETHYL-1-(4-SULFOBUTYL)INDODICARBOCYANINE
pro_mdlNumber: MFCD01862918
pro_acceptors: 7
pro_donors: 1
pro_smile: CC\1(c2cc(ccc2N(/C1=C/C=C/C=C/C3=[N+](c4ccc5ccccc5c4C3(C)C)CCCCS(=O)(=O)[O-])C)CNC(=O)CI)C
InChi: InChI=1S/C37H42IN3O4S/c1-36(2)29-23-26(25-39-34(42)24-38)17-19-30(29)40(5)32(36)15-7-6-8-16-33-37(3,4)35-28-14-10-9-13-27(28)18-20-31(35)41(33)21-11-12-22-46(43,44)45/h6-10,13-20,23H,11-12,21-22,24-25H2,1-5H3,(H-,39,42,43,44,45)
InChiKey: InChIKey=DSOHJESYBPIQMM-UHFFFAOYSA-N

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