1-Butanol, 4-dimethylamino-1,1-bis((3,4-(methylenedioxy)phenoxy)methyl)-, methylcarbamate (ester), citrate
Basic information
- CAS
64246-07-7- Standard SMILES
CNC(=O)OC(CCC[NH+](C)C)(COc1ccc2c(c1)OCO2)COc1ccc2c(c1)OCO2.O=C(O)CC(O)(CC(=O)O)C(=O)[O-]- InChIKey
DEUJMXDTFVLZKP-UHFFFAOYSA-N- Molecular formula
- C30H38N2O15
- Average molar mass
- 666.6 g/mol
- Monoisotopic mass
- 666.22721851
Names & identifiers
- Preferred name
- 1-Butanol, 4-dimethylamino-1,1-bis((3,4-(methylenedioxy)phenoxy)methyl)-, methylcarbamate (ester), citrate
- IUPAC
- [5-(1,3-benzodioxol-5-yloxy)-4-(1,3-benzodioxol-5-yloxymethyl)-4-(methylcarbamoyloxy)pentyl]-dimethylazanium;2-(carboxymethyl)-2,4-dihydroxy-4-oxobutanoate
Names & synonyms
1-Butanol, 4-dimethylamino-1,1-bis((3,4-(methylenedioxy)phenoxy)methyl)-, methylcarbamate (ester), citrate64246-07-7DTXSID70214455RefChem:228817DTXCID701369465-[(2H-1,3-Benzodioxol-5-yl)oxy]-4-{[(2H-1,3-benzodioxol-5-yl)oxy]methyl}-N,N-dimethyl-4-[(methylcarbamoyl)oxy]pentan-1-aminium 3-carboxy-2-(carboxymethyl)-2-hydroxypropanoate
Database identifiers
- CAS
64246-07-7- PubChem CID
- 47323
- DTXSID
DTXSID70214455
Properties
Computed structural properties
- Topological polar surface area
- 233 Ų
- Hydrogen bond donors
- 5
- Hydrogen bond acceptors
- 15
- Rotatable bonds
- 16
- Heavy atoms
- 47
- Formal charge
- 0
- Complexity
- 836
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…