Iscotrizinol

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For Research Use Only | Not For Clinical Use
CATAPS154702155
CAS154702-15-5
Structure
MDL NumberMFCD22200846
SynonymsDioctylbutamidotriazone, Iscotrizinol,Benzoic acid, 4,4'-[[6-[[4-[[(1,1-dimethylethyl)amino]carbonyl]phenyl]amino]-1,3,5-triazine-2,4-diyl]diimino]bis-, bis(2-ethylhexyl) ester (9CI), Diethylhexyl butamido triazone, Uvasorb HEB, Benzoic acid, 4,4'-[[6-[[4-[[(1,1-dimethylethyl)amino]carbonyl]phenyl]amino]-1,3,5-triazine-2,4-diyl]diimino]bis-, 1,1'-bis(2-ethylhexyl) ester
IUPAC Name2-ethylhexyl 4-[[4-[4-(tert-butylcarbamoyl)anilino]-6-[4-(2-ethylhexoxycarbonyl)anilino]-1,3,5-triazin-2-yl]amino]benzoate
Molecular Weight765.98
Molecular FormulaC44H59N7O5
Canonical SMILESCCCCC(CC)COC(=O)c1ccc(Nc2nc(Nc3ccc(cc3)C(=O)NC(C)(C)C)nc(Nc4ccc(cc4)C(=O)OCC(CC)CCCC)n2)cc1
InChIInChI=1S/C44H59N7O5/c1-8-12-14-30(10-3)28-55-39(53)33-18-24-36(25-19-33)46-42-48-41(45-35-22-16-32(17-23-35)38(52)51-44(5,6)7)49-43(50-42)47-37-26-20-34(21-27-37)40(54)56-29-31(11-4)15-13-9-2/h16-27,30-31H,8-15,28-29H2,1-7H3,(H,51,52)(H3,45,46,47,48,49,50)
InChI KeyOSCJHTSDLYVCQC-UHFFFAOYSA-N
REAXYS Number11322517
Accurate Mass765.4578
FormatNeat
SubcategoryPharmaceutical, Additional pharmaceutical toxicology reference materials, Additional pharmaceutical toxicology research materials
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