Compound: ISCOTRIZINOL
SMILES: O=C(OCC(CCCC)CC)c1ccc(Nc2nc(nc(n2)Nc3ccc(C(=O)NC(C)(C)C)cc3)Nc4ccc(C(=O)OCC(CCCC)CC)cc4)cc1
InChIKey: OSCJHTSDLYVCQC-UHFFFAOYSA-N
Synonyms: ISCOTRIZINOL, 154702-15-5, DIETHYLHEXYL BUTAMIDO TRIAZONE, Uvasorb HEB, 2UTZ0QC864, DTXSID40870027, bis(2-Ethylhexyl) 4,4'-((6-((4-(tert-butylcarbamoyl)phenyl]amino)-1,3,5-triazine-2,4-diyl)diimino)dibenzoate, BIS(2-ETHYLHEXYL) 4,4'-((6-((4-(TERT-BUTYLCARBAMOYL)PHENYL)AMINO)-1,3,5-TRIAZINE-2,4-DIYL)DIIMINO)DIBENZOATE, RefChem:791506, DTXCID50817887, 2-ethylhexyl 4-((4-((4-(tert-butylcarbamoyl)phenyl)amino)-6-((4-(((2-ethylhexyl)oxy)carbonyl)phenyl)amino)-1,3,5-triazin-2-yl)amino)benzoate, 421-450-8, 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, Iscotrizinol [USAN], 2-ethylhexyl 4-[[4-[4-(tert-butylcarbamoyl)anilino]-6-[4-(2-ethylhexoxycarbonyl)anilino]-1,3,5-triazin-2-yl]amino]benzoate, DIETHYLHEXYL BUTAMIDO TRIAZONE (INCI), Iscotrizinol (USAN), UNII-2UTZ0QC864, 4,4'-[[6-[[4-[[(1,1-Dimethylethyl)amino]carbonyl]phenyl]amino]-1,3,5-triazine-2,4-diyl]diimino]bisbenzoic acid, bis(2-ethylhexyl) ester, Bis(2-ethylhexyl) 4,4'-((6-((4-(tert-butylcarbamoyl)phenyl)amino)-1,3,5-triazine-2,4-diyl)bis(azanediyl))dibenzoate, C44H59N7O5, INCI, starbld0009715, ISCOTRIZINOL [MI], EC 421-450-8, ISCOTRIZINOL [MART.], ISCOTRIZINOL [USP-RS], ISCOTRIZINOL [WHO-DD], SCHEMBL275583, CHEMBL2103813, Iscotrizinol, analytical standard, MSK3446, EGA70215, MFCD22200846, MSK3446-100A, MSK3446-1000A, DB15468, SB73648, Bis(2-ethylhexyl) 4,4'-(6-(4-tert-butylcarbamoyl)anilino)-1,3,5-triazine-2,4-diyldiimino)dibenzoate, NS00006296, D09714, G79216, Iscotrizinol Solution in Acetonitrile, 100ug/mL, Iscotrizinol Solution in Acetonitrile, 1000ug/mL, Q6079473, Iscotrizinol, United States Pharmacopeia (USP) Reference Standard, 4,4 inverted exclamation marka-[[6-[[4-[[(1,1-Dimethylethyl)amino]carbonyl]phenyl]amino]-1,3,5-triazine-2,4-diyl]diimino]bisbenzoic acid, bis(2-ethylhexyl) ester, 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, 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, BIS(2-ETHYLHEXYL) 4,4'-((6-((4-(TERT-BUTYLCARBAMOYL)PHENYL)AMINO)-1,3,5- TRIAZINE-2,4-DIYL)DIIMINO)DIBENZOATE, Bis(2-ethylhexyl) 4,4'-[{6-[4-(tert-butylcarbamoyl)anilino]-1,3,5-triazine-2,4-diyl}bis(azanediyl)]dibenzoate
Theoretical properties:
molecular_formula: C44H59N7O5
molecular_weight: 766.0 g/mol
exact_mass: 765.45776801 g/mol
formal_charge: 0
hydrogen_bond_donor_count: 4
hydrogen_bond_acceptor_count: 11
rotatable_bond_count: 24
heavy_atom_count: 56
topological_polar_surface_area: 156 Å²
isotope_atom_count: 0
covalently_bonded_unit_count: 1
Physical properties:
Descriptions:
chembl: ISCOTRIZINOL is a small molecule listed in the ChEMBL database and has reached clinical trial phase -1.0.
wikipedia: Iscotrizinol (USAN, INCI diethylhexyl butamido triazone) is an organic compound used in sunscreens to absorb UVB and some UVA radiation  with a peak protection at 310 nm. It is one of the most photostable chemical sunscreens known today with 25 hours required to lose 10% of its SPF protection ability. It is marketed as Uvasorb HEB by 3V Sigma.