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

Details

Stereochemistry ABSOLUTE
Molecular Formula C23H26Cl2FN3O7
Molecular Weight 546.373
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 6-[Bis[(1,1-dimethylethoxy)carbonyl]amino]-5-[(1S)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-3-pyridazinecarboxylic acid

SMILES

C[C@H](OC1=C(N=NC(=C1)C(O)=O)N(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)C2=C(Cl)C(F)=CC=C2Cl

InChI

InChIKey=LEVDRQYTINUSCC-NSHDSACASA-N
InChI=1S/C23H26Cl2FN3O7/c1-11(16-12(24)8-9-13(26)17(16)25)34-15-10-14(19(30)31)27-28-18(15)29(20(32)35-22(2,3)4)21(33)36-23(5,6)7/h8-11H,1-7H3,(H,30,31)/t11-/m0/s1

HIDE SMILES / InChI

Molecular Formula C23H26Cl2FN3O7
Molecular Weight 546.373
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 1 / 1
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Wed Apr 02 19:42:27 GMT 2025
Edited
by admin
on Wed Apr 02 19:42:27 GMT 2025
Record UNII
6R5ZR4MFB8
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
3-Pyridazinecarboxylic acid, 6-[bis[(1,1-dimethylethoxy)carbonyl]amino]-5-[(1S)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-
Preferred Name English
6-[Bis[(1,1-dimethylethoxy)carbonyl]amino]-5-[(1S)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-3-pyridazinecarboxylic acid
Systematic Name English
Code System Code Type Description
PUBCHEM
89700445
Created by admin on Wed Apr 02 19:42:27 GMT 2025 , Edited by admin on Wed Apr 02 19:42:27 GMT 2025
PRIMARY
FDA UNII
6R5ZR4MFB8
Created by admin on Wed Apr 02 19:42:27 GMT 2025 , Edited by admin on Wed Apr 02 19:42:27 GMT 2025
PRIMARY
CAS
1370651-38-9
Created by admin on Wed Apr 02 19:42:27 GMT 2025 , Edited by admin on Wed Apr 02 19:42:27 GMT 2025
PRIMARY