Trimethyl Glycine

Thuốc Gốc

Small Molecule

CTHH: C₅H₁₂NO₂

PTK: 118.1543

A naturally occurring compound that has been of interest for its role in osmoregulation. As a drug, betaine hydrochloride has been used as a source of hydrochloric acid in the treatment of hypochlorhydria. Betaine has also been used in the treatment of liver disorders, for hyperkalemia, for homocystinuria, and for gastrointestinal disturbances. (From Martindale, The Extra Pharmacopoeia, 30th ed, p1341)

Nhận Dạng Quốc Tế & Đặc Tính Hóa Học

Công thức hóa học

C₅H₁₂NO₂

Phân tử khối

118.1543

Monoisotopic mass

118.086803633

InChI

InChI=1S/C5H11NO2/c1-6(2,3)4-5(7)8/h4H2,1-3H3/p+1

InChI Key

InChIKey=KWIUHFFTVRNATP-UHFFFAOYSA-O

IUPAC Name

(carboxymethyl)trimethylazanium

Traditional IUPAC Name

trimethyl glycine

SMILES

C[N+](C)(C)CC(O)=O

Độ hòa tan

1.75e+00 g/l

logP

-4.5

logS

-1.9

pKa (strongest acidic)

2.26

PSA

37.3 Å²

Refractivity

41.99 m³·mol^-1

Polarizability

12.52 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/DB04455

PubChem Compound

http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=248

PubChem Substance

http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=46506049

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