Ethylnarceine hydrochloride
Basic information
- CAS
12246-80-9- Standard SMILES
CCOC(=O)c1c(C(=O)Cc2c(CCN(C)C)cc3c(c2OC)OCO3)ccc(OC)c1OC.Cl- InChIKey
SXGYMZFWDNUKTQ-UHFFFAOYSA-N- Molecular formula
- C25H32ClNO8
- Average molar mass
- 510 g/mol
- Monoisotopic mass
- 509.1816447
Names & identifiers
- Preferred name
- Ethylnarceine hydrochloride
- IUPAC
- ethyl 6-[2-[6-[2-(dimethylamino)ethyl]-4-methoxy-1,3-benzodioxol-5-yl]acetyl]-2,3-dimethoxybenzoate;hydrochloride
Names & synonyms
Ethylnarceine hydrochlorideEthylnarceine HCl12246-80-9NARCYL317M2490O0UNII-317M2490O0EINECS 235-480-2ETHYL NARCEINATE HYDROCHLORIDENARCEINE, ETHYL-, HYDROCHLORIDEETHYLNARCEINE HYDROCHLORIDE [MI]BENZOIC ACID, 6-((6-(2-(DIMETHYLAMINO)ETHYL)-4-METHOXY-1,3-BENZODIOXOL-5-YL)ACETYL)-2,3-DIMETHOXY-, ETHYL ESTER, HYDROCHLORIDEBENZOIC ACID, 6-(2-(6-(2-(DIMETHYLAMINO)ETHYL)-4-METHOXY-1,3-BENZODIOXOL-5-YL)ACETYL)-2,3-DIMETHOXY-, ETHYL ESTER, HYDROCHLORIDE (1:1)
Show more names
Benzoic acid, 6-[2-[6-[2-(dimethylamino)ethyl]-4-methoxy-1,3-benzodioxol-5-yl]acetyl]-2,3-dimethoxy-, ethyl ester, hydrochloride (1:1)RefChem:139190235-480-2DTXSID80924179SXGYMZFWDNUKTQ-UHFFFAOYSA-NQ27256029Ethyl 6-({6-[2-(dimethylamino)ethyl]-4-methoxy-2H-1,3-benzodioxol-5-yl}acetyl)-2,3-dimethoxybenzoate--hydrogen chloride (1/1)ethyl 6-[2-[6-[2-(dimethylamino)ethyl]-4-methoxy-1,3-benzodioxol-5-yl]acetyl]-2,3-dimethoxybenzoate;hydrochloride
Database identifiers
- CAS
12246-80-9- PubChem CID
- 82996
- DTXSID
DTXSID80924179- UNII
- 317M2490O0
- EC Number
- 235-480-2
Properties
Computed structural properties
- Topological polar surface area
- 92.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 12
- Heavy atoms
- 35
- Formal charge
- 0
- Complexity
- 673
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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