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Details

Stereochemistry ACHIRAL
Molecular Formula C20H23N5S
Molecular Weight 365.495
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of TIMEGADINE

SMILES

CC1=NC2=C(C=CC=C2)C(N\C(NC3=NC=CS3)=N/C4CCCCC4)=C1

InChI

InChIKey=SQVNITZYWXMWOG-UHFFFAOYSA-N
InChI=1S/C20H23N5S/c1-14-13-18(16-9-5-6-10-17(16)22-14)24-19(25-20-21-11-12-26-20)23-15-7-3-2-4-8-15/h5-6,9-13,15H,2-4,7-8H2,1H3,(H2,21,22,23,24,25)

HIDE SMILES / InChI

Molecular Formula C20H23N5S
Molecular Weight 365.495
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 1
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Fri Dec 15 15:31:35 UTC 2023
Edited
by admin
on Fri Dec 15 15:31:35 UTC 2023
Record UNII
1XR74J44UL
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
TIMEGADINE
INN   WHO-DD  
INN  
Official Name English
Timegadine [WHO-DD]
Common Name English
timegadine [INN]
Common Name English
1-CYCLOHEXYL-2-(2-METHYL-4-QUINOLYL)-3-(2-THIAZOLYL)GUANIDINE
Systematic Name English
SR-1368
Code English
Classification Tree Code System Code
NCI_THESAURUS C257
Created by admin on Fri Dec 15 15:31:35 UTC 2023 , Edited by admin on Fri Dec 15 15:31:35 UTC 2023
Code System Code Type Description
EVMPD
SUB11062MIG
Created by admin on Fri Dec 15 15:31:35 UTC 2023 , Edited by admin on Fri Dec 15 15:31:35 UTC 2023
PRIMARY
INN
4963
Created by admin on Fri Dec 15 15:31:35 UTC 2023 , Edited by admin on Fri Dec 15 15:31:35 UTC 2023
PRIMARY
SMS_ID
100000077202
Created by admin on Fri Dec 15 15:31:35 UTC 2023 , Edited by admin on Fri Dec 15 15:31:35 UTC 2023
PRIMARY
ChEMBL
CHEMBL276368
Created by admin on Fri Dec 15 15:31:35 UTC 2023 , Edited by admin on Fri Dec 15 15:31:35 UTC 2023
PRIMARY
ECHA (EC/EINECS)
275-184-0
Created by admin on Fri Dec 15 15:31:35 UTC 2023 , Edited by admin on Fri Dec 15 15:31:35 UTC 2023
PRIMARY
PUBCHEM
68902
Created by admin on Fri Dec 15 15:31:35 UTC 2023 , Edited by admin on Fri Dec 15 15:31:35 UTC 2023
PRIMARY
CAS
71079-19-1
Created by admin on Fri Dec 15 15:31:35 UTC 2023 , Edited by admin on Fri Dec 15 15:31:35 UTC 2023
PRIMARY
NCI_THESAURUS
C90909
Created by admin on Fri Dec 15 15:31:35 UTC 2023 , Edited by admin on Fri Dec 15 15:31:35 UTC 2023
PRIMARY
MESH
C028998
Created by admin on Fri Dec 15 15:31:35 UTC 2023 , Edited by admin on Fri Dec 15 15:31:35 UTC 2023
PRIMARY
FDA UNII
1XR74J44UL
Created by admin on Fri Dec 15 15:31:35 UTC 2023 , Edited by admin on Fri Dec 15 15:31:35 UTC 2023
PRIMARY
EPA CompTox
DTXSID90221282
Created by admin on Fri Dec 15 15:31:35 UTC 2023 , Edited by admin on Fri Dec 15 15:31:35 UTC 2023
PRIMARY
Related Record Type Details
SALT/SOLVATE -> PARENT
TARGET -> INHIBITOR
TARGET -> INHIBITOR
Related Record Type Details
ACTIVE MOIETY