U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ACHIRAL
Molecular Formula C28H41ClN2O.ClH
Molecular Weight 493.552
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of TEROXALENE HYDROCHLORIDE

SMILES

Cl.CCC(C)(C)C1=CC=C(OCCCCCCN2CCN(CC2)C3=CC(Cl)=C(C)C=C3)C=C1

InChI

InChIKey=GWLHCTMTLJQQKG-UHFFFAOYSA-N
InChI=1S/C28H41ClN2O.ClH/c1-5-28(3,4)24-11-14-26(15-12-24)32-21-9-7-6-8-16-30-17-19-31(20-18-30)25-13-10-23(2)27(29)22-25;/h10-15,22H,5-9,16-21H2,1-4H3;1H

HIDE SMILES / InChI

Molecular Formula C28H41ClN2O
Molecular Weight 457.091
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula ClH
Molecular Weight 36.461
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Teroxalene is a dioxopiperazine derivative with multidrug resistance reversal activity

Originator

Sources: CS106503 "Derivatives of 2,​5-​dioxopiperazine" Feb 15, 1963

Approval Year

PubMed

PubMed

TitleDatePubMed
Reversal of multidrug resistance by bis(phenylalkyl)amines and structurally related compounds.
1994
Patents
Substance Class Chemical
Created
by admin
on Fri Dec 15 15:04:15 GMT 2023
Edited
by admin
on Fri Dec 15 15:04:15 GMT 2023
Record UNII
LYL9ES50QE
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
TEROXALENE HYDROCHLORIDE
USAN  
USAN  
Official Name English
TEROXALENE HYDROCHLORIDE [USAN]
Common Name English
NSC-138704
Code English
A-16612
Code English
PR-3847
Code English
PIPERAZINE, 1-(3-CHLORO-4-METHYLPHENYL)-4-(6-(4-(1,1-DIMETHYLPROPYL)PHENOXY)HEXYL)-, MONOHYDROCHLORIDE
Common Name English
1-(3-CHLORO-P-TOLYL)-4-(6-(P-TERT-PENTYLPHENOXY)HEXYL)PIPERAZINE MONOHYDROCHLORIDE
Common Name English
TEROXALENE HCL
Common Name English
Classification Tree Code System Code
NCI_THESAURUS C250
Created by admin on Fri Dec 15 15:04:15 GMT 2023 , Edited by admin on Fri Dec 15 15:04:15 GMT 2023
Code System Code Type Description
PUBCHEM
19704
Created by admin on Fri Dec 15 15:04:15 GMT 2023 , Edited by admin on Fri Dec 15 15:04:15 GMT 2023
PRIMARY
NCI_THESAURUS
C152572
Created by admin on Fri Dec 15 15:04:15 GMT 2023 , Edited by admin on Fri Dec 15 15:04:15 GMT 2023
PRIMARY
NSC
138704
Created by admin on Fri Dec 15 15:04:15 GMT 2023 , Edited by admin on Fri Dec 15 15:04:15 GMT 2023
PRIMARY
FDA UNII
LYL9ES50QE
Created by admin on Fri Dec 15 15:04:15 GMT 2023 , Edited by admin on Fri Dec 15 15:04:15 GMT 2023
PRIMARY
CAS
3845-22-5
Created by admin on Fri Dec 15 15:04:15 GMT 2023 , Edited by admin on Fri Dec 15 15:04:15 GMT 2023
PRIMARY
ChEMBL
CHEMBL2111143
Created by admin on Fri Dec 15 15:04:15 GMT 2023 , Edited by admin on Fri Dec 15 15:04:15 GMT 2023
PRIMARY
EPA CompTox
DTXSID50191770
Created by admin on Fri Dec 15 15:04:15 GMT 2023 , Edited by admin on Fri Dec 15 15:04:15 GMT 2023
PRIMARY
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PARENT -> SALT/SOLVATE
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ACTIVE MOIETY