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Details

Stereochemistry ACHIRAL
Molecular Formula C17H17N3O
Molecular Weight 279.3364
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of CONTRAGESTAZOL

SMILES

CCC1=CC=CC=C1C2=NN=C(N2)C3=CC=CC(OC)=C3

InChI

InChIKey=GXCZZAKPGMYPDJ-UHFFFAOYSA-N
InChI=1S/C17H17N3O/c1-3-12-7-4-5-10-15(12)17-18-16(19-20-17)13-8-6-9-14(11-13)21-2/h4-11H,3H2,1-2H3,(H,18,19,20)

HIDE SMILES / InChI

Molecular Formula C17H17N3O
Molecular Weight 279.3364
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

PubMed

PubMed

TitleDatePubMed
Effects of DL111-IT or combined with RU486 on uterine polyamines biosynthesis in rats during early gestation.
2001 May
Non-steroidal pregnancy-terminating agents: design, synthesis and structure-activity relationships of 2-aryl-1,2,4-triazolo[1,5-a]pyridine.
2002 Sep 2
Determination of diphenytriazol (DL111-IT) and its related impurities by RP-HPLC with DAD.
2003 Jun 1
5-(2-Ethyl-phenyl)-3-(3-methoxy-phenyl)-1H-[1,2,4]triazole (DL-111-IT) and related compounds induce apoptotic patterns in cultures of human tumor cell lines.
2003 Oct-Dec
Contragestazol (DL111-IT) inhibits proliferation of human androgen-independent prostate cancer cell line PC3 in vitro and in vivo.
2005 Dec
[In vitro metabolic interaction between diphenytriazol and steroid hormone drugs].
2006 Jan
Efficacy of a nanocochleate-encapsulated 3,5-diaryl-s-triazole derivative in a murine model of graft-versus-host disease.
2008 Jul 15
Disturbances in metabolic, transport and structural genes in experimental colonic inflammation in the rat: a longitudinal genomic analysis.
2008 Oct 17
Patents
Substance Class Chemical
Created
by admin
on Fri Dec 15 17:12:48 GMT 2023
Edited
by admin
on Fri Dec 15 17:12:48 GMT 2023
Record UNII
5HK8O3MA34
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
CONTRAGESTAZOL
Common Name English
3-(2-ETHYLPHENYL)-5-(3-METHOXYPHENYL)-1H-1,2,4-TRIAZOLE
Systematic Name English
DL111-IT
Common Name English
ST-1959
Code English
DL-111-IT
Code English
5-(2-ETHYLPHENYL)-3-(3-METHOXYPHENYL)-1H-1,2,4-TRIAZOLE
Systematic Name English
DL-111IT
Code English
DIPHENYTRIAZOL
Common Name English
1H-1,2,4-TRIAZOLE, 5-(2-ETHYLPHENYL)-3-(3-METHOXYPHENYL)-
Systematic Name English
Code System Code Type Description
EPA CompTox
DTXSID20988816
Created by admin on Fri Dec 15 17:12:48 GMT 2023 , Edited by admin on Fri Dec 15 17:12:48 GMT 2023
PRIMARY
PUBCHEM
122000
Created by admin on Fri Dec 15 17:12:48 GMT 2023 , Edited by admin on Fri Dec 15 17:12:48 GMT 2023
PRIMARY
FDA UNII
5HK8O3MA34
Created by admin on Fri Dec 15 17:12:48 GMT 2023 , Edited by admin on Fri Dec 15 17:12:48 GMT 2023
PRIMARY
CAS
69095-83-6
Created by admin on Fri Dec 15 17:12:48 GMT 2023 , Edited by admin on Fri Dec 15 17:12:48 GMT 2023
PRIMARY
Related Record Type Details
ACTIVE MOIETY