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N-Acetyltaurine

N-Acetyltaurine structure

CAS No:
19213-70-8
Formula:
C4H9NO4S
Chemical Name:
N-Acetyltaurine
Synonyms:
Ethanesulfonic acid,2-(acetylamino)-;Taurine,N-acetyl-;2-(Acetylamino)ethanesulfonic acid;N-Acetyltaurine;[2-Acetylamino]ethanesulfonic acid
Categories:
Active Pharmaceutical Ingredients > Other Chemical Drugs

Description

ChEBI: An amino sulfonic acid that is taurine substituted by an acetyl group at the N atom.

Acetyltaurine is an amino sulfonic acid that is taurine substituted by an acetyl group at the N atom. It has a role as a human urinary metabolite and a human blood serum metabolite. It is a member of acetamides and an organosulfonic acid. It derives from a taurine. It is a conjugate acid of an acetyltaurine(1-).

N-Acetyltaurine Basic Attributes

Molecular Weight：

167.179

Exact Mass：

167.18

DSSTox ID：

DTXSID80172779

Characteristics

PSA：

91.8

XLogP3：

-1.6

Melting Point：

194-196 °C @ Solvent: Ethanol, Diethyl ether

Drug Information

MeSH Entry Terms：

acetyltaurinate

Computed Properties

Molecular Weight:167.19
XLogP3:-1.6
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:3
Exact Mass:167.02522894
Monoisotopic Mass:167.02522894
Topological Polar Surface Area:91.8
Heavy Atom Count:10
Complexity:202
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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