1-Oxa-3-azaspiro(4.5)decane-3-carboxylic acid, 7-methyl-2-oxo-, 2-dimethylaminoethyl ester, fumarate, (E)-
Basic information
- CAS
24191-76-2- Standard SMILES
C[C@H]1CCCC2(C1)CN(C(=O)OCCN(C)C)C(=O)O2.O=C(O)/C=C/C(=O)O- InChIKey
NTSMCTWRZKHQBH-WDTLYIIBSA-N- Molecular formula
- C18H28N2O8
- Average molar mass
- 400.4 g/mol
- Monoisotopic mass
- 400.18456586
Names & identifiers
- Preferred name
- 1-Oxa-3-azaspiro(4.5)decane-3-carboxylic acid, 7-methyl-2-oxo-, 2-dimethylaminoethyl ester, fumarate, (E)-
- IUPAC
- (E)-but-2-enedioic acid;2-(dimethylamino)ethyl (7S)-7-methyl-2-oxo-1-oxa-3-azaspiro[4.5]decane-3-carboxylate
Names & synonyms
1-Oxa-3-azaspiro(4.5)decane-3-carboxylic acid, 7-methyl-2-oxo-, 2-dimethylaminoethyl ester, fumarate, (E)-24191-76-2RefChem:1056161Methyl-7 oxa-1 oxo-2 aza-3 (dimethylamino ethoxy carbonyl)-3 spiro(4.5)decane fumarate, (E)-Dimethylaminoethyl 7-methyl-2-oxo-1-oxa-3-azaspiro(4.5)decane-3-carboxylate fumarate (E)-
Database identifiers
- CAS
24191-76-2- PubChem CID
- 6445178
Properties
Computed structural properties
- Topological polar surface area
- 134 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 6
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 504
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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