Basic information
- CAS
4901-03-5- Standard SMILES
COc1ccc(C(=O)Cc2c(CCN(C)C)cc3c(c2OC)OCO3)c(C(=O)O)c1OC.Cl- InChIKey
QDFXBTCNMNZVHX-UHFFFAOYSA-N- Molecular formula
- C23H28ClNO8
- Average molar mass
- 481.9 g/mol
- Monoisotopic mass
- 481.1503445
Names & identifiers
- Preferred name
- Narceine hydrochloride
- IUPAC
- 6-[2-[6-[2-(dimethylamino)ethyl]-4-methoxy-1,3-benzodioxol-5-yl]acetyl]-2,3-dimethoxybenzoic acid;hydrochloride
Names & synonyms
Narceine hydrochlorideNarceine HCl1B7W51YUQ34901-03-5NSC-34923UNII-1B7W51YUQ3NARCEINE, HYDROCHLORIDEDTXSID60197667QDFXBTCNMNZVHX-UHFFFAOYSA-NNSC34923EINECS 225-530-1NSC 34923
Show more names
NARCEINE HYDROCHLORIDE [WHO-DD]NS00081349NARCEINE HYDROCHLORIDE, PYRROLIZIDINE ALKALOIDQ272521872,3-Dimethoxy-6-((6-(2-dimethylaminoethyl)-2-methoxy-3,4-methylendioxyphenyl)acetyl)benzosaeure hydrochlorid6-((6-(2-(DIMETHYLAMINO)ETHYL)-2-METHOXY-3,4-(METHYLENEDIOXY)PHENYL)ACETYL)-O-VERATRIC ACID HYDROCHLORIDE6-((6-(2-(DIMETHYLAMINO)ETHYL)-4-METHOXY-1,3-BENZODIOXOL-5-YL)ACETYL)-2,3-DIMETHOXYBENZOIC ACID HYDROCHLORIDE6-({6-[2-(Dimethylamino)ethyl]-4-methoxy-2H-1,3-benzodioxol-5-yl}acetyl)-2,3-dimethoxybenzoic acid--hydrogen chloride (1/1)
Database identifiers
- CAS
4901-03-5- PubChem CID
- 78617
- DTXSID
DTXSID60197667- UNII
- 1B7W51YUQ3
- EC Number
- 225-530-1
Properties
Computed structural properties
- Topological polar surface area
- 104 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 10
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 643
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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