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Red-CLA , CAS No.886840-56-8
Names and Identifiers
IUPAC Name | 4-[2-[4-[4-(3-hydroxy-2-methylimidazo[1,2-a]pyrazin-6-yl)phenoxy]butanoylamino]ethylsulfamoyl]-2-(3-oxa-23-aza-9-azoniaheptacyclo[17.7.1.15,9.02,17.04,15.023,27.013,28]octacosa-1(27),2(17),4,9(28),13,15,18-heptaen-16-yl)benzenesulfonate |
INCHI | InChI=1S/C50H51N7O9S2/c1-30-50(59)57-29-41(52-28-43(57)54-30)31-12-14-34(15-13-31)65-24-6-11-44(58)51-18-19-53-67(60,61)35-16-17-42(68(62,63)64)38(27-35)45-39-25-32-7-2-20-55-22-4-9-36(46(32)55)48(39)66-49-37-10-5-23-56-21-3-8-33(47(37)56)26-40(45)49/h12-17,25-29,53H,2-11,18-24H2,1H3,(H2-,51,52,58,59,62,63,64) |
InChi Key | USCHMYZSZWGIDF-UHFFFAOYSA-N |
Canonical SMILES | CC1=C(N2C=C(N=CC2=N1)C3=CC=C(C=C3)OCCCC(=O)NCCNS(=O)(=O)C4=CC(=C(C=C4)S(=O)(=O)[O-])C5=C6C=C7CCC[N+]8=C7C(=C6OC9=C5C=C1CCCN2C1=C9CCC2)CCC8)O |
PubChem CID | 135927355 |
Molecular Weight | 958.12 |
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