| CAS Number | 24876-57-1 |
| Catalog Number | AG00I4R8(AGN-PC-0WG4OB) |
| Chemical Name | cis-1-Benzyl-3a-phenylhexahydro-1H-indol-6(2H)-one |
| IUPAC Name | (3aR,7aR)-1-benzyl-3a-phenyl-2,3,4,5,7,7a-hexahydroindol-6-one |
| InChI | InChI=1S/C21H23NO/c23-19-11-12-21(18-9-5-2-6-10-18)13-14-22(20(21)15-19)16-17-7-3-1-4-8-17/h1-10,20H,11-16H2/t20-,21-/m1/s1 |
| InChI Key | AUDMAWIPRVMITA-NHCUHLMSSA-N |
| MDL Number | MFCD28390371 |
| Molecular Formula | C21H23NO |
| Molecular Weight | 305.4134 |
| SMILES | O=C2CC[C@]1([C@]4=CC=CC=C4)CCN(CC3=CC=CC=C3)[C@@]([H])1C2 |
| Synonyms | 24876-57-1,
cis-1-Benzyl-3a-phenylhexahydro-1H-indol-6(2H)-one,
AS-68522,
(3aR,7aR)-1-benzyl-3a-phenyl-octahydro-1H-indol-6-one,
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| Complexity | 422 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 2 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 305.177964g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 23 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 305.4g/mol |
| Monoisotopic Mass | 305.177964g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 20.3Ų |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.5 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number