AC1O5IYG
benzyl-[2-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-2-oxoethyl]-propan-2-ylazanium;(Z)-4-hydroxy-4-oxobut-2-enoate
Also Known As: C24H29NO.C4H4O4.1/2H2O|C24-H29-N-O.C4-H4-O4.1/2H2-O|1-(1,2,3,5,6,7-Hexahydro-s-indacen-4-yl)-2-(benzylisopropylamino)ethanone maleate hemihydrate|Ethanone, 1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-2-((1-methylethyl)(phenylmethyl)amino)-, (Z)-2-butenedioate, hydrate (2:2:1)|ETHANONE, 1-(1,2,3,5,6,7-HEXAHYDRO-s-INDACEN-4-YL)-2-((1-METHYLETHYL)(PHENYLMETH|benzyl-[2-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-2-oxoethyl]-propan-2-ylazanium; (Z)-4-hydroxy-4-oxobut-2-enoate
| Molecular Formula | C28H33NO5 |
|---|---|
| Molecular Weight | 463.23587 g/mol |
| LogP | 1.7173 |
| Topological Polar Surface Area | 98.94 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 8 |
| Exact Mass | 463.23587 |
| Monoisotopic Mass | 463.23587 |
| Heavy Atoms | 34 |
| Complexity | 1023.6992 |
Chemical Identifiers
| CAS Number | 67367-73-1 |
|---|---|
| SMILES | CC(C)[NH+](CC1=CC=CC=C1)CC(=O)C2=C3CCCC3=CC4=C2CCC4.C(=C\C(=O)[O-])\C(=O)O |
Product Overview
AC1O5IYG (CAS 67367-73-1), with molecular formula C28H33NO5 and molecular weight 463.23587 g/mol. IUPAC: benzyl-[2-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-2-oxoethyl]-propan-2-ylazanium;(Z)-4-hydroxy-4-oxobut-2-enoate.
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