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 MIXED
Molecular Formula C25H29NO2.ClH
Molecular Weight 411.964
Optical Activity UNSPECIFIED
Defined Stereocenters 0 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of DIFETEROL HYDROCHLORIDE

SMILES

Cl.CC(C(O)C1=CC=CC=C1)N(C)CCOC(C2=CC=CC=C2)C3=CC=CC=C3

InChI

InChIKey=WKZITTRQXFNUNO-UHFFFAOYSA-N
InChI=1S/C25H29NO2.ClH/c1-20(24(27)21-12-6-3-7-13-21)26(2)18-19-28-25(22-14-8-4-9-15-22)23-16-10-5-11-17-23;/h3-17,20,24-25,27H,18-19H2,1-2H3;1H

HIDE SMILES / InChI

Molecular Formula C25H29NO2
Molecular Weight 375.5033
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry MIXED
Additional Stereochemistry No
Defined Stereocenters 0 / 2
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

Antihistamine agent

Approval Year

Targets

Primary TargetPharmacologyConditionPotency
5.44 µM [IC50]

Conditions

ConditionModalityTargetsHighest PhaseProduct
Primary
Unknown

Sample Use Guides

In Vivo Use Guide
A daily combination dosage of difeterol hydrochloride and difeterol phosphate for an adult is usually between 5 and 180 mg, preferably between 10 and 135 mg, more preferably between 18 and 90 mg.
Route of Administration: Oral
In Vitro Use Guide
Unknown
Substance Class Chemical
Record UNII
H9ZL6T9U7J
Record Status Validated (UNII)
Record Version