DICL_CP_0309038 - DICL Database

Basic Molecular Information

Basic Information

DICL ID

DICL_CP_0309038

PubChem CID

9294

Molecular Formula

C₁₀H₁₅NO

Molecular Weight

165.236 g/mol

Synonyms/Alias

[Ephedrine; l-Ephedrine; (-)-Ephedrine; 299-42-3; Ephedrin; L(-)-Ephedrine; Lexofedrin; Ephedrol; Mandrin; Sanedrine; Fedrin; I-Sedrin; 1-Sedrin; Ephedrine l-form; (1R;2S)-2-(methylamino)-1-phenylprop...[Ephedrine; l-Ephedrine; (-)-Ephedrine; 299-42-3; Ephedrin; L(-)-Ephedrine; Lexofedrin; Ephedrol; Mandrin; Sanedrine; Fedrin; I-Sedrin; 1-Sedrin; Ephedrine l-form; (1R;2S)-2-(methylamino)-1-phenylpropan-1-ol; Xenadrine; Norephedrine; N-methyl-; Ephedrine; anhydrous; racephedrine; Ephedrital; Ephedrosan; Ephedrotal; Ephedsol; Ephendronal; Ephoxamin; Kratedyn; Manadrin; Vencipon; Efedrin; Zephrol; Nasol; Ephedrine; L-(-)-; HSDB 3072; l-2-Methylamino-1-phenylpropanol; l-alpha-(1-Methylaminoethyl)benzyl alcohol; NSC 8971; EINECS 206-080-5; UNII-GN83C131XS; l-Erythro-2-(methylamino)-1-phenylpropan-1-ol; NSC 170951; Ephedrinum; anhydrous; GN83C131XS; CHEBI:15407; AI3-02761; (-)-alpha-(1-Methylaminoethyl)benzyl alcohol; NSC-8971; NSC-170951; (1R;2S)-1-phenyl-1-hydroxy-2-methylaminopropane; Biophedrin; Ephedremal; DTXSID0022985; Eciphin; Ephedral; (1R;2S)-2-methylamino-1-phenylpropan-1-ol; Benzenemethanol; alpha-(1-(methylamino)ethyl)-; (R-(R*;S*))-; EC 206-080-5; (1R;2S)-2-(methylamino)-1-phenyl-propan-1-ol; 1-Phenyl-2-methylaminopropanol; Benzenemethanol; alpha-(1-(methylamino)ethyl)-; (-)-; Sal-Phedrine; EPHEDRINE (MART.); EPHEDRINE [MART.]; Ephedrine [USAN:BAN]; 1-Hydroxy-2-methylamino-1-phenylpropane; EPHEDRINE (EP MONOGRAPH); EPHEDRINE [EP MONOGRAPH]; EPHEDRINE (USP MONOGRAPH); EPHEDRINE [USP MONOGRAPH]; (-)-Ephedrine hemisulfate; NSC8971; (L)-EPHEDRINE; (-)-(1R;2S)-Ephedrine; Ephedrine (TN); Ephedrine (USP); 1-2-Methylamino-1-phenylpropanol; Ephedrine Erythro Isomer; 2-Methylamino-1-phenyl-1-propanol; Erythro Isomer of Ephedrine; 1-Phenyl-1-hydroxy-2-methylaminopropane; Efedrina; alpha-Hydroxy-beta-methylaminopropylbenzene; 1-alpha-(1-Methylaminoethyl)benzyl alcohol; alpha-(1-(Methylamino)ethyl)benzenemethanol; NSC170951; alpha-Hydroxy-beta-methyl amine propylbenzene; 1(-)ephedrine; EPHEDRINE [MI]; EPHEDRINE [HSDB]; EPHEDRINE [VANDF]; (1R;2S)-2-methylamino-1-phenyl-propan-1-ol; EPHEDRINE [WHO-DD]; SCHEMBL4785; Lopac0_000501; GTPL556; (1r; 2s)-(-)-ephedrine; CHEMBL211456; DTXCID402985; -(1R;2S)-(-)-ephedrine; Benzenemethanol; alpha-((1S)-1-(methylamino)ethyl)-; (alphaR)-; HY-B1195; Benzenemethanol; .alpha.-[(1S)-1-(methylamino)ethyl]-; (.alpha.R)-; PDSP2_001327; PDSP2_001330; (1R;2S)-(-)-Ephedrine; 98%; AKOS016011257; Emerphed (ephedrine sulfate injection); EPHEDRINE; ANHYDROUS [WHO-IP]; CCG-204592; CS-4802; DB01364; NCGC00162174-01; NCGC00162174-02; SBI-0051362.P003; EPHEDRINUM; ANHYDROUS [WHO-IP LATIN]; NS00000382; (1R;2S)-2-Methylamino-1-phenyl-1-propanol; C01575; D00124; (1R*;2S*)-2-methylamino-1-phenyl-1-propanol; (1R;2S)-2-(methylamino)-1-phenyl-1-propanol; AB00375843_06; A820118; Q219626; SR-01000075166; (1R;2S)-(-)-2-Methylamino-1-phenyl-1-propanol; J-500280; SR-01000075166-1; (1R;2S)-(-)-2-(N-methylamino)-1-phenylpropan-1-ol; (1R;2S)-(-)-alpha-(1-Methylaminoethyl)benzenemethanol; (R-(R*;S*))-alpha-(1-(Methylamino)ethyl)benzenemethanol; PSEUDOEPHEDRINE HYDROCHLORIDE IMPURITY A [EP IMPURITY]; BENZENEMETHANOL; .ALPHA.-(1-(METHYLAMINO)ETHYL)-; (R-(R*;S*))-; (R-(R*;S*))-.ALPHA.-(1-(METHYLAMINO)ETHYL)BENZENEMETHANOL [WHO-IP]]

InChI Key

KWGRBVOPPLSCSI-WPRPVWTQSA-N

InChI

InChI=1S/C10H15NO/c1-8(11-2)10(12)9-6-4-3-5-7-9/h3-8,10-12H,1-2H3/t8-,10-/m0/s1

IUPAC Name

(1R,2S)-2-(methylamino)-1-phenylpropan-1-ol

CAS Number

54383-36-7

Structure Information

Chemical Structure Visualization

SMILES Notation

2D Molecular Drawing

Carbon (C)

Hydrogen (H)

Oxygen (O)

Nitrogen (N)

Sulfur (S)

SDF

27 27 0 0 0 0 0 0 0 0999 V2000
-2.5259 -1.5349 -0.3758 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3494 -0.6169 0.0096 C 0 0 1 0 0 0 0 0 0 0 0 0
-0.0075 -1.234...

Download SDF File (2318 bytes)

Experimental Data

Activity Data

Target Ion Channel

Potassium voltage-gated channel subfamily KQT member 1/E member 1

Uniprot Accession Number

P97414/P23299

Function

Activator

Species

Mus musculus (Mouse)

IC₅₀

N/A (Not available)

EC₅₀

EC₅₀: 50 nM

K_i

N/A (Not available)

K_d

N/A (Not available)

Inhibition

N/A (Not available)

Experimental Conditions

pH 7.4

Holding Potential

−70 mV mV

Temperature

Room Temperature

Test Method

Patch-clamping

Test Species

HEK293 cell (Homo sapiens embryonic kidney 293 cell)

Binding Information

Binding Site

Not specified

Binding Site Residue

Not specified

Disease Information

Related Disease

Not specified

References

DOI

10.1097/FJC.0b013e3181ce965c

URL

N/A (Not available)

PMID

20040889

Patent

N/A (Not available)

Computed Properties

Heavy Atom Count

Rotatable Bonds

logP

1.3279

Complexity

49.9235

TPSA (Å²)

32.26

H-Bond Donors

H-Bond Acceptors

Ring Count

New Search

Molecular Details

Basic Molecular Information

Basic Information

Structure Information

Chemical Structure Visualization

Experimental Data

Activity Data

Experimental Conditions

Binding Information

Disease Information

References

Computed Properties