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

Details

Stereochemistry ABSOLUTE
Molecular Formula C23H29N5O
Molecular Weight 391.5093
Optical Activity UNSPECIFIED
Defined Stereocenters 3 / 3
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of TOQUIZINE

SMILES

[H][C@@]12CC3=CN(CC)C4=C3C(=CC=C4)[C@@]1([H])C[C@H](CN2C)NC(=O)N5N=C(C)C=C5C

InChI

InChIKey=ZSJNNQSQILSGMP-YFVAEKQCSA-N
InChI=1S/C23H29N5O/c1-5-27-12-16-10-21-19(18-7-6-8-20(27)22(16)18)11-17(13-26(21)4)24-23(29)28-15(3)9-14(2)25-28/h6-9,12,17,19,21H,5,10-11,13H2,1-4H3,(H,24,29)/t17-,19-,21-/m1/s1

HIDE SMILES / InChI

Molecular Formula C23H29N5O
Molecular Weight 391.5093
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 3 / 3
E/Z Centers 0
Optical Activity UNSPECIFIED

Substance Class Chemical
Created
by admin
on Fri Dec 15 15:02:53 GMT 2023
Edited
by admin
on Fri Dec 15 15:02:53 GMT 2023
Record UNII
C7F94T15OY
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
TOQUIZINE
INN   USAN   WHO-DD  
USAN   INN  
Official Name English
Toquizine [WHO-DD]
Common Name English
N-(4-Ethyl-4,6,6a,7,8,9,10,10a-octahydro-7-methylindolo[4,3-g]quinolin-9-yl)-3,5-dimethylpyrazole-1-carboxamide
Common Name English
TOQUIZINE [USAN]
Common Name English
44106
Code English
1H-PYRAZOLE-1-CARBOXAMIDE, N-(4-ETHYL-4,6,6A,7,8,9,10,10A-OCTAHYDRO-7-METHYLINDOLO(4,3-FG)QUINOLIN-9-YL)-3,5-DIMETHYL-
Common Name English
toquizine [INN]
Common Name English
Classification Tree Code System Code
NCI_THESAURUS C29701
Created by admin on Fri Dec 15 15:02:53 GMT 2023 , Edited by admin on Fri Dec 15 15:02:53 GMT 2023
NCI_THESAURUS C29704
Created by admin on Fri Dec 15 15:02:53 GMT 2023 , Edited by admin on Fri Dec 15 15:02:53 GMT 2023
Code System Code Type Description
INN
2172
Created by admin on Fri Dec 15 15:02:53 GMT 2023 , Edited by admin on Fri Dec 15 15:02:53 GMT 2023
PRIMARY
FDA UNII
C7F94T15OY
Created by admin on Fri Dec 15 15:02:53 GMT 2023 , Edited by admin on Fri Dec 15 15:02:53 GMT 2023
PRIMARY
CAS
7125-71-5
Created by admin on Fri Dec 15 15:02:53 GMT 2023 , Edited by admin on Fri Dec 15 15:02:53 GMT 2023
PRIMARY
EPA CompTox
DTXSID001024499
Created by admin on Fri Dec 15 15:02:53 GMT 2023 , Edited by admin on Fri Dec 15 15:02:53 GMT 2023
PRIMARY
SMS_ID
100000077792
Created by admin on Fri Dec 15 15:02:53 GMT 2023 , Edited by admin on Fri Dec 15 15:02:53 GMT 2023
PRIMARY
EVMPD
SUB11194MIG
Created by admin on Fri Dec 15 15:02:53 GMT 2023 , Edited by admin on Fri Dec 15 15:02:53 GMT 2023
PRIMARY
NCI_THESAURUS
C152695
Created by admin on Fri Dec 15 15:02:53 GMT 2023 , Edited by admin on Fri Dec 15 15:02:53 GMT 2023
PRIMARY
ChEMBL
CHEMBL2105596
Created by admin on Fri Dec 15 15:02:53 GMT 2023 , Edited by admin on Fri Dec 15 15:02:53 GMT 2023
PRIMARY
PUBCHEM
23725054
Created by admin on Fri Dec 15 15:02:53 GMT 2023 , Edited by admin on Fri Dec 15 15:02:53 GMT 2023
PRIMARY
Related Record Type Details
ACTIVE MOIETY