U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS
This repository is under review for potential modification in compliance with Administration directives.

Details

Stereochemistry ABSOLUTE
Molecular Formula C18H19NOS.ClH
Molecular Weight 333.876
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of Duloxetine hydrochloride, (R)-

SMILES

Cl.CNCC[C@@H](OC1=C2C=CC=CC2=CC=C1)C3=CC=CS3

InChI

InChIKey=BFFSMCNJSOPUAY-UNTBIKODSA-N
InChI=1S/C18H19NOS.ClH/c1-19-12-11-17(18-10-5-13-21-18)20-16-9-4-7-14-6-2-3-8-15(14)16;/h2-10,13,17,19H,11-12H2,1H3;1H/t17-;/m1./s1

HIDE SMILES / InChI

Molecular Formula C18H19NOS
Molecular Weight 297.415
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 1 / 1
E/Z Centers 0
Optical Activity UNSPECIFIED

Molecular Formula ClH
Molecular Weight 36.461
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Description

R-Duloxetine is an enantiomer of the antidepressant S-duloxetine. R-Duloxetine was shown was highly effective against postoperative pain, which could be potential new analgesics. R-Duloxetine could show its effect via the blocking of the neuronal Na⁺ channels.

Approval Year

Targets

Primary TargetPharmacologyConditionPotency

Conditions

ConditionModalityTargetsHighest PhaseProduct
Primary
Unknown

PubMed

Sample Use Guides

In Vivo Use Guide
rat incision: Ipsilateral SC injections (2 mg/0.4 mL) of R-duloxetine reduced both postoperative allodynia and hyperalgesia by approximately 89% to 99% in the area under the curve of skin responses next to incision over 5 days. Systemic intraperitoneal injections at a higher dosage (10 mg) had smaller analgesic effects (reduced by approximately 53%-69%), whereas contralateral SC injections (10 mg) were ineffective.
Route of Administration: Other
In Vitro Use Guide
Unknown
Substance Class Chemical
Record UNII
7AKC5EXT4Q
Record Status Validated (UNII)
Record Version