DICL_CP_0306996 - DICL Database

Basic Molecular Information

Basic Information

DICL ID

DICL_CP_0306996

PubChem CID

263

Molecular Formula

C₄H₁₀O

Molecular Weight

74.123 g/mol

Synonyms/Alias

[1-butanol; Butan-1-ol; butanol; n-butanol; 71-36-3; Butyl alcohol; n-butyl alcohol; 1-hydroxybutane; Propylcarbinol; Butyl hydroxide; Methylolpropane; Propylmethanol; Hemostyp; n-Butan-1-ol; Butyric ...[1-butanol; Butan-1-ol; butanol; n-butanol; 71-36-3; Butyl alcohol; n-butyl alcohol; 1-hydroxybutane; Propylcarbinol; Butyl hydroxide; Methylolpropane; Propylmethanol; Hemostyp; n-Butan-1-ol; Butyric alcohol; 1-Butyl alcohol; Butanolo; Propyl carbinol; Alcool butylique; Butylowy alkohol; BuOH; Butanolen; Normal primary butyl alcohol; RCRA waste number U031; CCS 203; n-Butylalkohol; Alcohol; Butyl; Butyl alcohol (natural); FEMA No. 2178; FEMA Number 2178; 1 Butanol; 35296-72-1; Butyric or normal primary butyl alcohol; n-BuOH; HSDB 48; NSC 62782; CCRIS 4321; butanol-1; EINECS 200-751-6; UNII-8PJ61P6TS3; 8PJ61P6TS3; Butyl alcohol (NF); Butyl alcohol [NF]; ALCOHOL;BUTYL; DTXSID1021740; CHEBI:28885; AI3-00405; n-Butyl--d6 Alcohol; MFCD00002964; NSC-62782; 1219794-84-9; 64118-16-7; CHEMBL14245; DTXCID701740; 1-Butanol-4;4;4-d3; EC 200-751-6; NCGC00090961-02; Butanols; 1-BUTANOL-3;3;4;4;4-D5; BUTYL ALCOHOL (II); BUTYL ALCOHOL [II]; n-Propyl carbinol; Butanol [French]; Butanolen [Dutch]; 1-butanol (n-butyl alcohol); Butanolo [Italian]; 1-Butanol; analytical standard; BUTYL ALCOHOL (MART.); BUTYL ALCOHOL [MART.]; VANADIUM TETRABUTOXIDE; n-Butanol; Butan-1-ol; 1-Butanol; 6167-45-9; n Butanol; n Butyl Alcohol; Alcool butylique [French]; Butylowy alkohol [Polish]; 1-Butanol; ACS reagent; >=99.4%; CAS-71-36-3; Alcohol; n-Butyl; 1BO; Butanol; 1-; TRIBUTYL ACETYLCITRATE IMPURITY D (EP IMPURITY); TRIBUTYL ACETYLCITRATE IMPURITY D [EP IMPURITY]; RCRA waste no. U031; UNII-WB09NY83YA; butaneol; butylalcohol; butan-1-olate;vanadium(4+); butyl-alcohol; n-butylalcohol; normal butanol; 1-butylalcohol; n-Propylcarbinol; n-Butanolbutanolen; nBuOH; 1 -butanol; 1- butanol; 1-n-Butanol; 1-Butanol; anhydrous; N-Butyl Alcohol;(S); 1-Butanol; for HPLC; n-Butanol; HPLC grade; 1-Butanol; 99%; 1-Butanol; HPLC Grade; n-C4H9OH; bmse000447; 1-butanol (butyl alcohol); 1-Butanol; 99.9%; BUTYL ALCOHOL [FCC]; WB09NY83YA; BUTYL ALCOHOL [FHFI]; BUTYL ALCOHOL [HSDB]; WLN: Q4; 1-BUTANOL [USP-RS]; ALCOHOL;BUTYL [VANDF]; BIDD:ER0611; N-BUTYL ALCOHOL [MI]; 1-Butanol; LR; >=99%; BDBM36173; 1-Butanol; anhydrous; 99.8%; DTXSID20172556; N-Butanol; ACS; 99.4+%; N-BUTYL ALCOHOL [WHO-DD]; 1-Butanol; AR; >=99.5%; 1-Butanol; for HPLC; 99.8%; Butyl alcohol; >=99.9%; FCC; NSC62782; Tox21_111046; Tox21_200741; LMFA05000109; STL264186; AKOS000249218; 1-Butanol 500 microg/mL in Methanol; 1-Butanol; for HPLC; >=99.7%; DB02145; Butyl alcohol; >=99.9%; FCC; FG; NCGC00090961-01; NCGC00090961-03; NCGC00258295-01; BP-30034; 1-Butanol; SAJ first grade; >=99.0%; 1-Butanol; for molecular biology; >=99%; 1-Butanol; JIS special grade; >=99.0%; 1-Butanol; p.a.; ACS reagent; 99.4%; 1-Butanol; for HPLC; >=99.8% (GC); 1-Butanol; spectrophotometric grade; 99.5%; 1-Butanol; UV HPLC spectroscopic; 99.5%; B0228; B0704; B0944; NS00009227; 1-Butanol; anhydrous; ZerO2(TM); 99.8%; EN300-19305; 1-Butanol; Ultrapure; Spectrophotometric Grade; Butyl alcohol; natural; >=99.5%; FCC; FG; C06142; D03200; Q16391; F0001-1830; InChI=1/C4H10O/c1-2-3-4-5/h5H;2-4H2;1H; 1-Butanol; puriss. p.a.; ACS reagent; >=99.5% (GC); BDBC6468-886D-4F6C-8746-734F2B63E6CE; 1-Butanol; ACS reagent; reag. ISO; reag. Ph. Eur.; 99.5%; 1-Butanol; United States Pharmacopeia (USP) Reference Standard; 1-Butanol; Pharmaceutical Secondary Standard; Certified Reference Material; 1-Butanol; puriss. p.a.; ACS reagent; reag. ISO; reag. Ph. Eur.; >=99.5% (GC)]

InChI Key

LRHPLDYGYMQRHN-UHFFFAOYSA-N

InChI

InChI=1S/C4H10O/c1-2-3-4-5/h5H,2-4H2,1H3

IUPAC Name

butan-1-ol

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

5 4 0 0 0 0 0 0 0 0999 V2000
-2.5981 -0.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2990 0.4500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0000 -0...

Download SDF File (494 bytes)

Experimental Data

Activity Data

Target Ion Channel

Potassium voltage-gated channel subfamily KQT member 1/E member 1 (minK)

Uniprot Accession Number

P51787/P15382

Function

Inhibitor

Species

Homo sapiens (Human)

IC₅₀

IC₅₀: 11000 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 7.4

Holding Potential

−30 mV mV

Temperature

22–25 °C

Test Method

Patch-clamping

Test Species

Xenopus laevis oocyte

Binding Information

Binding Site

Extracellular domain

Binding Site Residue

residue I257 at S4–S5 linker

Disease Information

Related Disease

Not specified

References

DOI

10.1038/aps.2015.133

URL

N/A (Not available)

PMID

26725740

Patent

N/A (Not available)

Computed Properties

Heavy Atom Count

Rotatable Bonds

logP

0.7788

Complexity

21.9938

TPSA (Å²)

20.23

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