| CAS Number | 189348-40-1 |
| Catalog Number | AG01B2A8(AGN-PC-0QIU2H) |
| Chemical Name | Rel-(3ar,6as)-2-benzyltetrahydropyrrolo[3,4-c]pyrrole-1,3(2h,3ah)-dione |
| IUPAC Name | (3aS,6aR)-5-benzyl-2,3,3a,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrole-4,6-dione |
| InChI | InChI=1S/C13H14N2O2/c16-12-10-6-14-7-11(10)13(17)15(12)8-9-4-2-1-3-5-9/h1-5,10-11,14H,6-8H2/t10-,11+ |
| InChI Key | LASIKWRVUBLQPO-PHIMTYICSA-N |
| MDL Number | MFCD28992151 |
| Molecular Formula | C13H14N2O2 |
| Molecular Weight | 230.2625 |
| SMILES | O=C1N(CC2=CC=CC=C2)C(=O)[C@H]2[C@@H]1CNC2 |
| Synonyms | 189348-40-1,
cis-2-Benzyltetrahydropyrrolo[3,4-c]pyrrole-1,3(2H,3aH)-dione,
SCHEMBL5770320,
MFCD28992151,
AKOS027430170,
ZINC100007561,
FCH4213138,
AJ-99968,
EN300-268294,
Z2509351144,
(3aR,6aS)-2-benzyl-octahydropyrrolo[3,4-c]pyrrole-1,3-dione,
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| Complexity | 314 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 2 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 230.106g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 230.267g/mol |
| Monoisotopic Mass | 230.106g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 49.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.1 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number