1,3-Benzodioxole-2-acetamide, N-(2-diethylaminoethyl)-2-methyl-, citrate
Basic information
- CAS
50836-22-1- Standard SMILES
CCN(CC)CCNC(=O)CC1(C)Oc2ccccc2O1.O=C(O)CC(O)(CC(=O)O)C(=O)O- InChIKey
GUNJATHEGMDIBT-UHFFFAOYSA-N- Molecular formula
- C22H32N2O10
- Average molar mass
- 484.5 g/mol
- Monoisotopic mass
- 484.20569522
Names & identifiers
- Preferred name
- 1,3-Benzodioxole-2-acetamide, N-(2-diethylaminoethyl)-2-methyl-, citrate
- IUPAC
- N-[2-(diethylamino)ethyl]-2-(2-methyl-1,3-benzodioxol-2-yl)acetamide;2-hydroxypropane-1,2,3-tricarboxylic acid
- English name
- N-(2-Diethylaminoethyl)-2-methyl-1,3-benzodioxole-2-acetamide
- Molecular formula
- C16H24N2O3
- Molecular weight
- 292.37
Names & synonyms
LR 29050836-22-11,3-Benzodioxole-2-acetamide, N-(2-diethylaminoethyl)-2-methyl-, citrateDTXSID00198870N-(2-(Diethylamino)ethyl)-2-methyl-1,3-benzodioxol-2-acetamideN-(2-Diethylaminoethyl)-2-methyl-1,3-benzodioxole-2-acetamide citrateRefChem:217898DTXCID601213612-Hydroxypropane-1,2,3-tricarboxylic acid--N-[2-(diethylamino)ethyl]-2-(2-methyl-2H-1,3-benzodioxol-2-yl)acetamide (1/1)N-(2-Diethylaminoethyl)-2-methyl-1,3-benzodioxole-2-acetamide1,3-Benzodioxole-2-acetamide, N-[2-(diethylamino)ethyl]-2-methyl-
Database identifiers
- CAS
50836-22-1- PubChem CID
- 39823
- DTXSID
DTXSID00198870
Properties
Computed structural properties
- Topological polar surface area
- 183 Ų
- Hydrogen bond donors
- 5
- Hydrogen bond acceptors
- 11
- Rotatable bonds
- 12
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 558
Physicochemical properties
- Toxicity
- 50 intravenous · LD50 intravenous in cat: 20mg/kg
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Toxicity
- LD50 intravenous in cat: 20mg/kg
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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