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Details

Stereochemistry ACHIRAL
Molecular Formula C19H26N4O4S
Molecular Weight 406.499
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of TOZADENANT

SMILES

COC1=CC=C(N2CCOCC2)C3=C1N=C(NC(=O)N4CCC(C)(O)CC4)S3

InChI

InChIKey=XNBRWUQWSKXMPW-UHFFFAOYSA-N
InChI=1S/C19H26N4O4S/c1-19(25)5-7-23(8-6-19)18(24)21-17-20-15-14(26-2)4-3-13(16(15)28-17)22-9-11-27-12-10-22/h3-4,25H,5-12H2,1-2H3,(H,20,21,24)

HIDE SMILES / InChI

Molecular Formula C19H26N4O4S
Molecular Weight 406.499
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Fri Dec 15 18:15:25 UTC 2023
Edited
by admin
on Fri Dec 15 18:15:25 UTC 2023
Record UNII
D9K857J81I
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
TOZADENANT
INN   USAN  
USAN   INN  
Official Name English
A2A (3)
Code English
A-2A (3)
Code English
RO4494351-000
Code English
RO-4494351-002
Code English
A2A-(3)
Code English
4-HYDROXY-N-(4-METHOXY-7-MORPHOLINOBENZO(D)THIAZOL-2-YL)-4-METHYLPIPERIDINE-1-CARBOXAMIDE
Systematic Name English
SYN-115
Code English
RO-4494351000
Code English
SYN115
Code English
RO4494351
Code English
TOZADENANT [USAN]
Common Name English
RO4494351-002
Code English
Tozadenant [WHO-DD]
Common Name English
RO-4494351
Code English
RO-4494351-000
Code English
tozadenant [INN]
Common Name English
1-PIPERIDINECARBOXAMIDE, 4-HYDROXY-N-(4-METHOXY-7-(4-MORPHOLINYL)-2-BENZOTHIAZOLYL)-4-METHYL-
Systematic Name English
Classification Tree Code System Code
NCI_THESAURUS C38149
Created by admin on Fri Dec 15 18:15:25 UTC 2023 , Edited by admin on Fri Dec 15 18:15:25 UTC 2023
Code System Code Type Description
FDA UNII
D9K857J81I
Created by admin on Fri Dec 15 18:15:25 UTC 2023 , Edited by admin on Fri Dec 15 18:15:25 UTC 2023
PRIMARY
CAS
870070-55-6
Created by admin on Fri Dec 15 18:15:25 UTC 2023 , Edited by admin on Fri Dec 15 18:15:25 UTC 2023
PRIMARY
EVMPD
SUB130095
Created by admin on Fri Dec 15 18:15:25 UTC 2023 , Edited by admin on Fri Dec 15 18:15:25 UTC 2023
PRIMARY
NCI_THESAURUS
C152704
Created by admin on Fri Dec 15 18:15:25 UTC 2023 , Edited by admin on Fri Dec 15 18:15:25 UTC 2023
PRIMARY
ChEMBL
CHEMBL2105747
Created by admin on Fri Dec 15 18:15:25 UTC 2023 , Edited by admin on Fri Dec 15 18:15:25 UTC 2023
PRIMARY
PUBCHEM
11618368
Created by admin on Fri Dec 15 18:15:25 UTC 2023 , Edited by admin on Fri Dec 15 18:15:25 UTC 2023
PRIMARY
INN
9514
Created by admin on Fri Dec 15 18:15:25 UTC 2023 , Edited by admin on Fri Dec 15 18:15:25 UTC 2023
PRIMARY
SMS_ID
100000156017
Created by admin on Fri Dec 15 18:15:25 UTC 2023 , Edited by admin on Fri Dec 15 18:15:25 UTC 2023
PRIMARY
DRUG BANK
DB12203
Created by admin on Fri Dec 15 18:15:25 UTC 2023 , Edited by admin on Fri Dec 15 18:15:25 UTC 2023
PRIMARY
USAN
YY-27
Created by admin on Fri Dec 15 18:15:25 UTC 2023 , Edited by admin on Fri Dec 15 18:15:25 UTC 2023
PRIMARY
Related Record Type Details
TARGET -> INHIBITOR
selective antagonsist
Ki
TARGET->WEAK INHIBITOR
TARGET->WEAK INHIBITOR
Related Record Type Details
ACTIVE MOIETY