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

Details

Stereochemistry ACHIRAL
Molecular Formula C20H25N3O7S2.ClH
Molecular Weight 520.019
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of TDP-4815

SMILES

Cl.CC1=CC(OCC2(CONC(N)=N)CC2)=CC(OS(=O)(=O)C3=CC=CC=C3S(C)(=O)=O)=C1

InChI

InChIKey=GMUCGSBSSVNWKT-UHFFFAOYSA-N
InChI=1S/C20H25N3O7S2.ClH/c1-14-9-15(28-12-20(7-8-20)13-29-23-19(21)22)11-16(10-14)30-32(26,27)18-6-4-3-5-17(18)31(2,24)25;/h3-6,9-11H,7-8,12-13H2,1-2H3,(H4,21,22,23);1H

HIDE SMILES / InChI

Molecular Formula C20H25N3O7S2
Molecular Weight 483.558
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

Approval Year

Patents

Patents

Substance Class Chemical
Created
by admin
on Fri Dec 15 16:24:23 GMT 2023
Edited
by admin
on Fri Dec 15 16:24:23 GMT 2023
Record UNII
8GZ66Y8T20
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
TDP-4815
Common Name English
TDP 4815
Code English
(1-((5-METHYL-3-(2-METHYLSULFONYLPHENYLSULFONYLOXY)PHENOXY)METHYL)CYCLOPROPYL-METHOXY)GUANIDINE HYDROCHLORIDE
Systematic Name English
BENZENESULFONIC ACID, 2-(METHYLSULFONYL)-, 3-((1-((((AMINOIMINOMETHYL)AMINO)OXY)METHYL)CYCLOPROPYL)METHOXY)-5-METHYLPHENYL ESTER, HYDROCHLORIDE (1:1)
Common Name English
Code System Code Type Description
FDA UNII
8GZ66Y8T20
Created by admin on Fri Dec 15 16:24:23 GMT 2023 , Edited by admin on Fri Dec 15 16:24:23 GMT 2023
PRIMARY
CAS
208641-01-4
Created by admin on Fri Dec 15 16:24:23 GMT 2023 , Edited by admin on Fri Dec 15 16:24:23 GMT 2023
PRIMARY
PUBCHEM
9828024
Created by admin on Fri Dec 15 16:24:23 GMT 2023 , Edited by admin on Fri Dec 15 16:24:23 GMT 2023
PRIMARY
EPA CompTox
DTXSID00174977
Created by admin on Fri Dec 15 16:24:23 GMT 2023 , Edited by admin on Fri Dec 15 16:24:23 GMT 2023
PRIMARY
Related Record Type Details
PARENT -> SALT/SOLVATE
Related Record Type Details
ACTIVE MOIETY