(3aR,4S,7R,7aS)-hexahydro-1H-4,7-methanoisoindole-1,3(2H)-dione - CAS 14805-29-9
Catalog: |
BB010262 |
Product Name: |
(3aR,4S,7R,7aS)-hexahydro-1H-4,7-methanoisoindole-1,3(2H)-dione |
CAS: |
14805-29-9 |
Synonyms: |
exo-Hexahydro-1H-4,7-methanoisoindole-1,3(2H)-dione; exo-2,3-Norbornanedicarboximide; (1R,2S,6R,7S)-4-Azatricyclo[5.2.1.02,6]decane-3,5-dione; (3aR,4S,7R,7aS)-rel-Hexahydro-4,7-methano-1H-isoindole-1,3(2H)-dione; NSC 238001 |
IUPAC Name: | (1S,2R,6S,7R)-4-azatricyclo[5.2.1.02,6]decane-3,5-dione |
Description: | (3aR,4S,7R,7aS)-hexahydro-1H-4,7-methanoisoindole-1,3(2H)-dione is a synthetic compound used in the biomedical industry. It has potential pharmaceutical applications in studying various diseases. Its unique chemical structure and properties make it a promising candidate for drug development targeting specific enzymes or receptors. |
Molecular Weight: | 165.19 |
Molecular Formula: | C9H11NO2 |
Canonical SMILES: | C1CC2CC1C3C2C(=O)NC3=O |
InChI: | InChI=1S/C9H11NO2/c11-8-6-4-1-2-5(3-4)7(6)9(12)10-8/h4-7H,1-3H2,(H,10,11,12)/t4-,5+,6+,7- |
InChI Key: | RIVOBMOBWMOLDJ-RNGGSSJXSA-N |
Boiling Point: | 355°C at 760 mmHg |
Melting Point: | 173-176°C |
Purity: | >95% |
Density: | 1.285 g/cm3 |
Solubility: | Soluble in Chloroform (Slightly), Methanol (Slightly) |
Appearance: | White to Light Brown Solid |
Storage: | Store at 2-8°C |
MDL: | MFCD12964181 |
LogP: | 0.63390 |
GHS Hazard Statement: | H302 (42.86%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P201, P260, P261, P263, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P308+P313, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
WO-2017154021-A1 | An improved process for the preparation of lurasidone base and its salt | 20160309 |
US-2017349601-A1 | Improved process for the preparation of lurasidone and its intermediate | 20150108 |
US-2017246165-A1 | An improved process for the preparation of lurasidone hydrochloride | 20141014 |
CA-2951917-A1 | Processes for making alkylated arylpiperazine and alkylated arylpiperidine compounds including novel intermediates | 20140616 |
CA-2951917-C | Processes for making alkylated arylpiperazine and alkylated arylpiperidine compounds including novel intermediates | 20140616 |
Complexity: | 248 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 4 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 165.078978594 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 165.078978594 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 46.2 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.7 |
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