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Details

Stereochemistry ACHIRAL
Molecular Formula C21H22Cl2N2O3
Molecular Weight 421.317
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of SB-406725A FREE BASE

SMILES

CC(C)OC1=CC=C(C=C1C(C)=O)C(=O)NC2=C(Cl)C3=C(CCNC3)C(Cl)=C2

InChI

InChIKey=QLVXLDYLQRPQFH-UHFFFAOYSA-N
InChI=1S/C21H22Cl2N2O3/c1-11(2)28-19-5-4-13(8-15(19)12(3)26)21(27)25-18-9-17(22)14-6-7-24-10-16(14)20(18)23/h4-5,8-9,11,24H,6-7,10H2,1-3H3,(H,25,27)

HIDE SMILES / InChI

Molecular Formula C21H22Cl2N2O3
Molecular Weight 421.317
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 Sat Dec 16 19:06:11 GMT 2023
Edited
by admin
on Sat Dec 16 19:06:11 GMT 2023
Record UNII
5F3YJ6HQ2J
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
SB-406725A FREE BASE
Code English
3-ACETYL-N-(5,8-DICHLORO-1,2,3,4-TETRAHYDRO-7-ISOQUINOLINYL)-4-(1-METHYLETHOXY)BENZAMIDE
Systematic Name English
BENZAMIDE, 3-ACETYL-N-(5,8-DICHLORO-1,2,3,4-TETRAHYDRO-7-ISOQUINOLINYL)-4-(1-METHYLETHOXY)-
Systematic Name English
Code System Code Type Description
FDA UNII
5F3YJ6HQ2J
Created by admin on Sat Dec 16 19:06:11 GMT 2023 , Edited by admin on Sat Dec 16 19:06:11 GMT 2023
PRIMARY
PUBCHEM
9823496
Created by admin on Sat Dec 16 19:06:11 GMT 2023 , Edited by admin on Sat Dec 16 19:06:11 GMT 2023
PRIMARY
CAS
318528-48-2
Created by admin on Sat Dec 16 19:06:11 GMT 2023 , Edited by admin on Sat Dec 16 19:06:11 GMT 2023
PRIMARY
Related Record Type Details
SALT/SOLVATE -> PARENT