Molecular Details

DICL_CP_0317476 - [3-[(1S)-1-(dimethylamino)ethyl]phenyl] N-ethyl-N-methylcarbamate

Basic Molecular Information

Basic Information

DICL ID

DICL_CP_0317476

PubChem CID

77991

Molecular Formula

C₁₄H₂₂N₂O₂

Molecular Weight

250.342 g/mol

Synonyms/Alias

[rivastigmine; 123441-03-2; Exelon; Prometax; ENA 713 free base; Rivastigmine Teva; Nimvastid; Exelon Patch; rivastigmine hexal; (S)-Rivastigmine; Rivastigmine sandoz; (S)-3-(1-(dimethylamino)ethyl)ph...[rivastigmine; 123441-03-2; Exelon; Prometax; ENA 713 free base; Rivastigmine Teva; Nimvastid; Exelon Patch; rivastigmine hexal; (S)-Rivastigmine; Rivastigmine sandoz; (S)-3-(1-(dimethylamino)ethyl)phenyl ethyl(methyl)carbamate; SDZ ENA 713; SDZ-212-713; UNII-PKI06M3IW0; 3-[(1S)-1-(dimethylamino)ethyl]phenyl N-ethyl-N-methylcarbamate; PKI06M3IW0; m-((S)-1-(Dimethylamino)ethyl)phenyl ethylmethylcarbamate; (S)-3-(1-(Dimethylamino)ethyl)phenyl ethylmethylcarbamate; Rivastigmine Transdermal System; SDZ 212-713; CHEBI:8874; ENA-713D; [3-[(1S)-1-(dimethylamino)ethyl]phenyl] N-ethyl-N-methylcarbamate; ONO-2540; CHEMBL636; SDZ-212713; RIVASTIGMINE 1 A PHARMA; 3-((1S)-1-(Dimethylamino)ethyl)phenyl ethylmethylcarbamate; DTXSID7023564; Carbamic acid; ethylmethyl-; 3-((1S)-1-(dimethylamino)ethyl)phenyl ester; RIVASTIGMINE 3M HEALTH CARE LTD; Ethylmethylcarbamic acid 3-[(1S)-1-(dimethylamino)ethyl]phenyl ester; Carbamic acid; ethylmethyl-; 3-(1-(dimethylamino)ethyl)phenyl ester; (S)-; Carbamic acid; N-ethyl-N-methyl-; 3-[(1S)-1-(dimethylamino)ethyl]phenyl ester; RIVASTIGMINE (MART.); RIVASTIGMINE [MART.]; RIVASTIGMINE (USP-RS); RIVASTIGMINE [USP-RS]; 3-[(1S)-1-(dimethylamino)ethyl]phenyl ethyl(methyl)carbamate; RIVASTIGMINE (EP MONOGRAPH); RIVASTIGMINE [EP MONOGRAPH]; S-Rivastigmine; RIVASTIGMINE (USP MONOGRAPH); RIVASTIGMINE [USP MONOGRAPH]; SR-05000001475; rivastigminum; Rivastigmina; 3-((1S)-1-(dimethylamino)ethyl)phenyl ethyl(methyl)carbamate; MFCD00871496; Prometax (TN); Rivastigmine [USAN:INN:BAN:JAN]; Rivastigmine.tartrate; Rivastigmine impurity D; RIVASTIGMINE [MI]; RIVASTIGMINE [INN]; RIVASTIGMINE [JAN]; RIVASTIGMINE [USAN]; SCHEMBL2764; RIVASTIGMINE [VANDF]; ethylmethylcarbamic acid 3-[1-(dimethylamino)ethyl]phenyl ester; MLS003876822; BIDD:GT0316; RIVASTIGMINE [WHO-DD]; Rivastigmine (JAN/USP/INN); DTXCID703564; GTPL6602; RIVASTIGMINE [EMA EPAR]; BDBM10620; BDBM11682; AMY3808; N06DA03; XSVMFMHYUFZWBK-NSHDSACASA-N; HMS2089H18; HMS3715P15; HMS3885B18; RIVASTIGMINE [ORANGE BOOK]; (S)-3-[1-(dimethylamino)ethyl]phenyl N-ethyl-N-methylcarbamate; (S)-N-ethyl-3-((1-dimethyl-amino)ethyl)-N-methylphenylcarbamate; 3-((1S)-1-(Dimethylamino)ethyl)phenyl N-ethyl-N-methylcarbamate; AKOS015896334; AC-8250; CCG-221197; CS-0946; DB00989; NCGC00167531-03; NCGC00167531-17; AS-73448; HY-17368; SMR002203623; NS00000463; R0250; S4687; D03822; D82061; AB01275472-01; AB01275472_02; AB01275472_03; EN300-7403044; Q411887; SR-05000001475-1; SR-05000001475-2; W-200966; [3-[(1S)-1-dimethylaminoethyl]phenyl] N-ethyl-N-methylcarbamate; 3-((1S)-1-(Dimethylamino)ethyl)phenyl N-ethyl N-methyl carbamate; Ethyl-methyl-carbamic acid 3-(1-dimethylamino-ethyl)-phenyl ester; Ethyl-methyl-carbamic acid 3-((R)-1-dimethylamino-ethyl)-phenyl ester; Ethyl-methyl-carbamic acid 3-((S)-1-dimethylamino-ethyl)-phenyl ester; 2;3-dihydroxybutanedioic acid; 3-[(1S)-1-(dimethylamino)ethyl]phenyl N-ethyl-N-methylcarbamate]

InChI Key

XSVMFMHYUFZWBK-NSHDSACASA-N

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/t11-/m0/s1

IUPAC Name

[3-[(1S)-1-(dimethylamino)ethyl]phenyl] N-ethyl-N-methylcarbamate

CAS Number

N/A (Not available)

Structure Information

Chemical Structure Visualization

SMILES Notation

2D Molecular Drawing

Carbon (C)

Hydrogen (H)

Oxygen (O)

Nitrogen (N)

Sulfur (S)

SDF

18 18 0 0 0 0 0 0 0 0999 V2000
-5.9053 -2.2007 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.5320 -1.5973 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.3679 -0...

Download SDF File (1613 bytes)

Experimental Data

Activity Data

Target Ion Channel

Inward rectifier potassium channel 4

Uniprot Accession Number

P48050

Function

Inhibitor

Species

Homo sapiens (Human)

IC₅₀

IC₅₀: 2800 nM

EC₅₀

N/A (Not available)

K_i

N/A (Not available)

K_d

N/A (Not available)

Inhibition

N/A (Not available)

Experimental Conditions

pH 7.2

Holding Potential

−50 to 60 mV mV

Temperature

21−24 °C

Test Method

Patch-clamping

Test Species

Rattus norvegicus hippocampal neuron

Binding Information

Binding Site

Not specified

Binding Site Residue

Not specified

Disease Information

Related Disease

Not specified

References

DOI

10.1038/sj.bjp.0705503

URL

N/A (Not available)

PMID

14504131

Patent

N/A (Not available)

Computed Properties

Heavy Atom Count

Rotatable Bonds

logP

2.7597

Complexity

72.872

TPSA (Å²)

32.78

H-Bond Donors

H-Bond Acceptors

Ring Count

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