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rac Rivastigmine-d6 Tartrate Salt , CAS No.105601-20-5
Basic Description
Synonyms
3-[1-(DIMETHYLAMINO)ETHYL]PHENYL N-ETHYL-N-METHYLCARBAMATE | Rivastigmine EP Impurity D | Rivastigmin | SY031132 | DTXSID70274453 | HMS3747A07 | BCP08735 | ()-Rivastigmine | A927692 | BDBM50024866 | SY115835 | 3-[1-(dimethylamino)ethyl]phenylethyl(methyl)
Shipped In
Normal
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Phenoxy compounds
Intermediate Tree Nodes
Not available
Direct Parent
Phenoxy compounds
Alternative Parents
Aralkylamines Carbamate esters Trialkylamines Organic carbonic acids and derivatives Organopnictogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Phenoxy compound - Aralkylamine - Carbamic acid ester - Carbonic acid derivative - Tertiary amine - Tertiary aliphatic amine - Amine - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Carbonyl group - Aromatic homomonocyclic compound
Description
This compound belongs to the class of organic compounds known as phenoxy compounds. These are aromatic compounds contaning a phenoxy group.
External Descriptors
Not available
Data sources
1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.
Associated Targets(Human)
Mechanisms of Action
Mechanism of Action
Action Type
target ID
Target Name
Target Type
Target Organism
Binding Site Name
References
Names and Identifiers
IUPAC Name
[3-[1-(dimethylamino)ethyl]phenyl] N-ethyl-N-methylcarbamate
INCHI
InChI=1S/C14H22N2O2/c1-6-16(5)14(17)18-13-9-7-8-12(10-13)11(2)15(3)4/h7-11H,6H2,1-5H3
InChIKey
XSVMFMHYUFZWBK-UHFFFAOYSA-N
Smiles
CCN(C)C(=O)OC1=CC=CC(=C1)C(C)N(C)C
Isomeric SMILES
CCN(C)C(=O)OC1=CC=CC(=C1)C(C)N(C)C
PubChem CID
5077
Molecular Weight
250.34
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Molecular Weight
250.340 g/mol
XLogP3
2.300
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
3
Rotatable Bond Count
5
Exact Mass
250.168 Da
Monoisotopic Mass
250.168 Da
Topological Polar Surface Area
32.800 Ų
Heavy Atom Count
18
Formal Charge
0
Complexity
269.000
Isotope Atom Count
0
Defined Atom Stereocenter Count
0
Undefined Atom Stereocenter Count
1
Defined Bond Stereocenter Count
0
Undefined Bond Stereocenter Count
0
The total count of all stereochemical bonds
0
Covalently-Bonded Unit Count
1
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