Butyrylthiocholine

Thuốc Gốc

Small Molecule

CTHH: C₉H₂₀NOS

PTK: 190.326

A sulfur-containing analog of butyrylcholine which is hydrolyzed by butyrylcholinesterase to butyrate and thiocholine. It is used as a reagent in the determination of butyrylcholinesterase activity. [PubChem]

Nhận Dạng Quốc Tế & Đặc Tính Hóa Học

Công thức hóa học

C₉H₂₀NOS

Phân tử khối

190.326

Monoisotopic mass

190.126559957

InChI

InChI=1S/C9H20NOS/c1-5-6-9(11)12-8-7-10(2,3)4/h5-8H2,1-4H3/q+1

InChI Key

InChIKey=AWBGQVBMGBZGLS-UHFFFAOYSA-N

IUPAC Name

[2-(butanoylsulfanyl)ethyl]trimethylazanium

Traditional IUPAC Name

butyrylthiocholine

SMILES

CCCC(=O)SCC[N+](C)(C)C

Độ hòa tan

6.06e-03 g/l

logP

-2.6

logS

-4.6

pKa (Strongest Basic)

-6.1

PSA

17.07 Å²

Refractivity

67.07 m³·mol^-1

Polarizability

22.74 Å³

Rotatable Bond Count

H Bond Acceptor Count

H Bond Donor Count

Physiological Charge

Number of Rings

Bioavailability

Rule of Five

true

Tài Liệu Tham Khảo Thêm

drugbank

http://www.drugbank.ca/drugs/DB04250

PubChem Compound

http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=20689

PubChem Substance

http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=46508351

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