1H-Indole-3-carboxylic acid, 2-(3-(dimethylamino)propyl)octahydro-1,3-dioxo-4,7-methano-1H-isoindol-5-yl ester, monohydrochloride, (3a-alpha,4-alpha,5-beta,7-alpha,7a-alpha)-(+-)-
Basic information
- CAS
59496-26-3- Standard SMILES
C[NH+](C)CCCN1C(=O)C2C(C1=O)[C@H]1C[C@@H]2CC1OC(=O)c1c[nH]c2ccccc12.[Cl-]- InChIKey
SEYPSTRDPZHIHU-HPTIFWHNSA-N- Molecular formula
- C23H28ClN3O4
- Average molar mass
- 445.9 g/mol
- Monoisotopic mass
- 445.1768341
Names & identifiers
- Preferred name
- 1H-Indole-3-carboxylic acid, 2-(3-(dimethylamino)propyl)octahydro-1,3-dioxo-4,7-methano-1H-isoindol-5-yl ester, monohydrochloride, (3a-alpha,4-alpha,5-beta,7-alpha,7a-alpha)-(+-)-
- IUPAC
- 3-[(1R,7R)-8-(1H-indole-3-carbonyloxy)-3,5-dioxo-4-azatricyclo[5.2.1.02,6]decan-4-yl]propyl-dimethylazanium chloride
Names & synonyms
59496-26-31H-Indole-3-carboxylic acid, 2-(3-(dimethylamino)propyl)octahydro-1,3-dioxo-4,7-methano-1H-isoindol-5-yl ester, monohydrochloride, (3a-alpha,4-alpha,5-beta,7-alpha,7a-alpha)-(+-)-RefChem:2390873-[(1R,7R)-8-(1H-Indole-3-carbonyloxy)-3,5-dioxo-4-azatricyclo[5.2.1.02,6]decan-4-yl]propyl-dimethylazanium;chloride
Database identifiers
- CAS
59496-26-3- PubChem CID
- 43034
Properties
Computed structural properties
- Topological polar surface area
- 83.9 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 7
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 725
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Compound notes
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