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Details

Stereochemistry RACEMIC
Molecular Formula C6H9NO2S
Molecular Weight 159.206
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of CITIOLONE

SMILES

CC(=O)NC1CCSC1=O

InChI

InChIKey=NRFJZTXWLKPZAV-UHFFFAOYSA-N
InChI=1S/C6H9NO2S/c1-4(8)7-5-2-3-10-6(5)9/h5H,2-3H2,1H3,(H,7,8)

HIDE SMILES / InChI
Molecular Formula C6H9NO2S
Molecular Weight 159.206
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry RACEMIC
Additional Stereochemistry No
Defined Stereocenters 0 / 1
E/Z Centers 0
Optical Activity ( + / - )

Description

Citiolone (N-acetylhomocysteine thiolactone) is an antioxidant drug used in the treatment of liver diseases.

CNS Activity

CNS Active
3,984

Originator

Degussa
8

Approval Year

Unknown
145,056

Targets

Primary TargetPharmacologyConditionPotency
Oxidative Stress
162
Inhibitor
8,456

Conditions

ConditionModalityTargetsHighest PhaseProduct
Liver diseases
15
 Primary
Approved
8,548
REDUCDYN

Overview

CYP3A4CYP2C9CYP2D6hERG
inhibitor
2,238

inducer
1,074
inhibitor
2,416
inhibitor
2,486
inhibitor
2,195

OverviewOther

Other InhibitorOther SubstrateOther Inducer
CYP19A1
428

OATP1B1
1,068

OATP1B3
952

CYP2C19
2,042

CYP1A2
2,139

P-gp
1,725
P-gp
2,035

Drug as perpetrator​

Drug as victim

Tox targets

PubMed

Patents

DE1134683B
1

Sample Use Guides

In Vivo Use Guide
Reducdyn (Citiolone 50mg/tab. + L-Cysteine 50mg/tab): 3 tablets 3 times daily, to be swallowed whole with some liquid during or immediately after meals.
Route of Administration: Oral
In Vitro Use Guide
Human skin fibroblasts were irradiated following incubation with N-acetyl-homocysteine-thiolactone (citiolone (CIT), 1 mM). Treatments with CIT resulted in a significant rise in glutathione levels compared with control cells, with protection against UVA radiation.
Substance Class Chemical
Record UNII
70JKL15MUH
Record Status Validated (UNII)
Record Version
NIH
NCATS
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