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 ACHIRAL
Molecular Formula C23H27N3O4
Molecular Weight 409.4782
Optical Activity UNSPECIFIED
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of BENEXATE

SMILES

NC(=N)NC[C@H]1CC[C@@H](CC1)C(=O)OC2=C(C=CC=C2)C(=O)OCC3=CC=CC=C3

InChI

InChIKey=IAXUQWSLRKIRFR-SAABIXHNSA-N
InChI=1S/C23H27N3O4/c24-23(25)26-14-16-10-12-18(13-11-16)21(27)30-20-9-5-4-8-19(20)22(28)29-15-17-6-2-1-3-7-17/h1-9,16,18H,10-15H2,(H4,24,25,26)/t16-,18-

HIDE SMILES / InChI

Molecular Formula C23H27N3O4
Molecular Weight 409.4782
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 2 / 2
E/Z Centers 0
Optical Activity UNSPECIFIED

Description

Benexate is an active ingredient of benexate.CD or benexate hydrochloride betadex, a beta-cyclodextrin complex. Benexate was approved for the treatment of Gastric Ulcer in Japan. The terapeuthic effect of benexate is associated with promotion of prostaglandin synthesis, inhibition of acid secretion and increase in mucosal blood flow.

Approval Year

Targets

Primary TargetPharmacologyConditionPotency

Conditions

ConditionModalityTargetsHighest PhaseProduct
Primary
ULGUT
Primary
ULGUT

PubMed

Patents

Sample Use Guides

In Vivo Use Guide
Unknown
Route of Administration: Oral
In Vitro Use Guide
Unknown
Substance Class Chemical
Record UNII
O3PR2X907M
Record Status Validated (UNII)
Record Version