Basic information
- CAS
2375499-61-7- Standard SMILES
COc1cccc(-c2c(C)n(Cc3ccccc3C(F)(F)F)c(=O)n(C[C@H](NCCCC(=O)O)c3ccccc3)c2=O)c1F- InChIKey
CZHPGAQFIYENQH-VWLOTQADSA-N- Molecular formula
- C32H31F4N3O5
- Average molar mass
- 613.6 g/mol
- Monoisotopic mass
- 613.21998375
Names & identifiers
- Preferred name
- Elagolix Impurity 63
- IUPAC
- 4-[[(1R)-2-[5-(2-fluoro-3-methoxyphenyl)-4-methyl-2,6-dioxo-3-[[2-(trifluoromethyl)phenyl]methyl]pyrimidin-1-yl]-1-phenylethyl]amino]butanoic acid
- English name
- Butanoic acid, 4-[[(1R)-2-[5-(2-fluoro-3-methoxyphenyl)-3,6-dihydro-4-methyl-2,6-dioxo-3-[[2-(trifluoromethyl)phenyl]methyl]-1(2H)-pyrimidinyl]-1-phenylethyl]amino]-
- Molecular formula
- C32H31F4N3O5
- Molecular weight
- 613.6
Names & synonyms
Elagolix Impurity 63BE5U52SNX7SCHEMBL146073392375499-61-7(R)-4-((2-(5-(2-fluoro-3-methoxyphenyl)-4-methyl-2,6-dioxo-3-(2-(trifluoromethyl)benzyl)-3,6-dihydropyrimidin-1(2H)-yl)-1-phenylethyl)amino)butanoic acid4-[[(1R)-2-[5-(2-Fluoro-3-methoxyphenyl)-3,6-dihydro-4-methyl-2,6-dioxo-3-[[2-(trifluoromethyl)phenyl]methyl]-1(2H)-pyrimidinyl]-1-phenylethyl]amino]butanoic acidButanoic acid, 4-[[(1R)-2-[5-(2-fluoro-3-methoxyphenyl)-3,6-dihydro-4-methyl-2,6-dioxo-3-[[2-(trifluoromethyl)phenyl]methyl]-1(2H)-pyrimidinyl]-1-phenylethyl]amino]-Elagolix Impurity 56
Database identifiers
- CAS
2375499-61-7- PubChem CID
- 71213664
- UNII
- BE5U52SNX7
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 99.2 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 12
- Heavy atoms
- 44
- Formal charge
- 0
- Complexity
- 1,050
Physicochemical properties
- Boiling point
- 733 · 733.0±70.0 °C(Predicted)
- Density
- 1.323 · 1.323±0.06 g/cm3(Predicted)
- pka
- 4.4 · 4.40±0.10(Predicted)
- FDA UNII
- 5 U52SNX7 · BE5U52SNX7
Chemistry & industry
Suppliers8 total
上海柯维化学技术有限公司021-64609169 18901607656 · [email protected]
北京康派森医药科技有限公司010-010-52878169 15801002657 · [email protected]
深圳振强药物研发有限公司+86-0755-66853366 +86-13670046396 · [email protected]
湖北扬信医药科技有限公司15374522761 · [email protected]
湖北瑞诺医药科技有限公司13165688766 · [email protected]
广州市桐晖药业有限公司020-66392521-118 18922260391 · [email protected]
雷丁科技0510-85629785 18013409632 · [email protected]
湖北清北云研医药科技有限责任公司18162595016; 18162595016 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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