Account Calcium (S)-2-benzyl-4-((3aR,7aS)-octahydro-2H-isoindol-2-yl)-4-oxobutanoate
- Catalog No. :
- ACKMHI832
- CAS No. :
- 145525-41-3
- Molecular Formula :
- C38H48CaN2O6
- Molecular Weight :
- 668.89
IUPAC Name:calcium (S)-2-benzyl-4-((3aR,7aS)-octahydro-2H-isoindol-2-yl)-4-oxobutanoate
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Product Information
| Product Name | Calcium (S)-2-benzyl-4-((3aR,7aS)-octahydro-2H-isoindol-2-yl)-4-oxobutanoate |
|---|---|
| IUPAC Name | calcium (S)-2-benzyl-4-((3aR,7aS)-octahydro-2H-isoindol-2-yl)-4-oxobutanoate |
| MDL No. | MFCD09955408 |
| Molecular Formula | C38H48CaN2O6 |
| Molecular Weight | 668.89 |
| SMILES | O=C([O-])[C@@H](CC1=CC=CC=C1)CC(N2C[C@@]3([H])CCCC[C@@]3([H])C2)=O.O=C([O-])[C@@H](CC4=CC=CC=C4)CC(N5C[C@@]6([H])CCCC[C@@]6([H])C5)=O.[Ca+2] |
| InChI Key | PMRVFZXOCRHXFE-FMEJWYFOSA-L |
| Synonym | 2H-Isoindole-2-butanoic acid, octahydro-gamma-oxo-alpha-(phenylmethyl)-, calcium salt (2:1), (alphaS,3aR,7aS)- | KAD-1229 calcium salt | S21403 | 2H-Isoindole-2-butanoic acid, octahydro-gamma-oxo-alpha-(phenylmethyl)-, calcium salt, (2(S)-cis)- | Mitiglin |
| CAS No. | 145525-41-3 |
| PubChem CID | 5478927 |
Safety Data
- Pictogram
- Signal Word
- Warning
- Hazard Statement(s)
- H302-H315-H319-H335
- Precautionary Statement(s)
- P261-P305+P351+P338
Synthetic Route by SureRoute
2. ACKMHI832 Molecular Building Block Synthetic Route
Calcium (R)-2-benzyl-4-((3aR,7aS)-octahydro-2H-isoindol-2-yl)-4-oxobutanoate
(S)-2-Benzyl-4-((3aR,7aS)-octahydro-2H-isoindol-2-yl)-4-oxobutanoic acid
(R)-2-benzyl-4-((3aR,7aS)-octahydro-2H-isoindol-2-yl)-4-oxobutanoic acid