Basic information
- CAS
124439-07-2- Standard SMILES
CN(C(=O)Cc1cccc2occc12)[C@H]1CC[C@@]2(CCCO2)C[C@@H]1N1CCCC1.Cl- InChIKey
ZVVAINSYJGRDTR-TYLGTTGKSA-N- Molecular formula
- C24H33ClN2O3
- Average molar mass
- 433 g/mol
- Monoisotopic mass
- 432.2179706
Overview
Dilevalol hydrochloride is the hydrochloride salt of dilevalol. It contains a dilevalol(1+).
Names & identifiers
- Preferred name
- 4-Benzofuranacetamide, N-methyl-N-((5R,7S,8S)-7-(1-pyrrolidinyl)-1-oxaspiro(4.5)dec-8-yl)-, hydrochloride (1:1)
- IUPAC
- 2-(1-benzofuran-4-yl)-N-methyl-N-[(5R,7S,8S)-7-pyrrolidin-1-yl-1-oxaspiro[4.5]decan-8-yl]acetamide;hydrochloride
- English name
- Enadoline hydrochloride
- Molecular formula
- C24H33ClN2O3
- Molecular weight
- 432.99
Names & synonyms
ENADOLINE HYDROCHLORIDEEnadoline HCl124439-07-2086I9HO04E4-Benzofuranacetamide, N-methyl-N-[(5R,7S,8S)-7-(1-pyrrolidinyl)-1-oxaspiro[4.5]dec-8-yl]-, hydrochloride (1:1)4-Benzofuranacetamide, N-methyl-N-((5R,7S,8S)-7-(1-pyrrolidinyl)-1-oxaspiro(4.5)dec-8-yl)-, hydrochloride (1:1)RefChem:1070346Enadoline hydrochloride [USAN]CI-9774-Benzofuranacetamide, N-methyl-N-(7-(1-pyrrolidinyl)-1-oxaspiro(4.5)dec-8-yl)-, monohydrochloride, (5R-(5alpha,7alpha,8beta))-2-(1-benzofuran-4-yl)-N-methyl-N-[(5R,7S,8S)-7-pyrrolidin-1-yl-1-oxaspiro[4.5]decan-8-yl]acetamide;hydrochlorideN-Methyl-N-((5R,7S,8S)-7-(1-pyrrolidinyl)-1-oxaspiro(4.5)dec-8-yl)-4-benzofuranacetamide monohydrochloride
Show more names
Enadoline hydrochloride (USAN)UNII-086I9HO04ECAM 570NIH 10672PD 129290N-Methyl-N-[(5R,7S,8S)-7-(1-pyrrolidinyl)-1-oxaspiro[4.5]dec-8-yl]-4-benzofuranacetamide monohydrochlorideEnadoline (hydrochloride)124439-07-2 (HCl)
Properties
Computed structural properties
- Topological polar surface area
- 45.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 593
Physicochemical properties
- FDA UNII
- 86 I9HO04E · 086I9HO04E
Chemistry & industry
Applications
UsesEnadoline (CI-977) hydrochloride is a highly selective, brain-penetrating, and nonpeptide kappa-opioid receptor (KOR) agonist (Ki=1.25 nM). Antinociceptive effects[1][2].
Suppliers3 total
BOC Sciences16314854226; +8616314854226 · [email protected]
上海一飞生物科技有限公司021-65675885 18964387627 · [email protected]
上海陶术生物科技股份有限公司+1-781-999-5354 · [email protected]
Additional notes
DefinitionChEBI: Dilevalol hydrochloride is the hydrochloride salt of dilevalol. It contains a dilevalol(1+).
Related reactions
0 records
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Compound notes
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