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Details

Stereochemistry ACHIRAL
Molecular Formula C17H23NO3
Molecular Weight 289.3694
Optical Activity UNSPECIFIED
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of ROTRAXATE

SMILES

NC[C@H]1CC[C@@H](CC1)C(=O)C2=CC=C(CCC(O)=O)C=C2

InChI

InChIKey=NVBZUCIQNYPGCI-CTYIDZIISA-N
InChI=1S/C17H23NO3/c18-11-13-3-8-15(9-4-13)17(21)14-6-1-12(2-7-14)5-10-16(19)20/h1-2,6-7,13,15H,3-5,8-11,18H2,(H,19,20)/t13-,15-

HIDE SMILES / InChI
Rotraxate (also known as TEI 5103 or TG 51) is an anti-ulcerative agent. Experiments on rodents have shown that only the oral and gastric route of administration lead to the anti-ulcer effect. This drug increased gastric mucosal blood flow and possibly promoted the healing process of peptic ulcers. However, the further development of this drug was discontinued.

Approval Year

PubMed

PubMed

TitleDatePubMed
Anti-ulcer effect of 3-[p-(trans-4-aminomethylcyclohexylcarbonyl) phenyl] propionic acid hydrochloride (TEI-5103).
1985
Crystal and molecular structures of a new anti-ulcer agent, 3-[p-(trans-4-aminomethylcyclohexylcarbonyl)phenyl]propionic acid hydrochloride.
1986 Sep
Effect of 3-[p-(trans-4-aminomethylcyclohexylcarbonyl)phenyl] propionic acid hydrochloride on gastric mucosa directly from the lumen.
1987 Nov
Effect of 3-[p-(trans-4-aminomethylcyclohexylcarbonyl)-phenyl] propionic acid hydrochloride on gastric mucosal blood flow.
1987 Nov
Effect of 3-[p-(trans-4-aminomethylcyclohexylcarbonyl)phenyl]propionic acid hydrochloride on gastric mucosal barrier.
1987 Oct
Patents
Name Type Language
ROTRAXATE
INN   MI  
INN  
Official Name English
ROTRAXATE [MI]
Common Name English
rotraxate [INN]
Common Name English
Classification Tree Code System Code
NCI_THESAURUS C29701
Created by admin on Fri Dec 15 16:31:04 GMT 2023 , Edited by admin on Fri Dec 15 16:31:04 GMT 2023
Code System Code Type Description
INN
6066
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EVMPD
SUB10393MIG
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MERCK INDEX
m920
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SMS_ID
100000084364
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EPA CompTox
DTXSID901017463
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DRUG CENTRAL
3826
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ChEMBL
CHEMBL2105418
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PUBCHEM
65829
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NCI_THESAURUS
C76490
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CAS
92071-51-7
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FDA UNII
KRN50N3Y2T
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