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Details

Stereochemistry RACEMIC
Molecular Formula C31H32Cl2N4O8
Molecular Weight 659.514
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of ATI-22-107

SMILES

COC(=O)C1=C(C)NC(COCCNC(=O)COC2=CC=C(C=C2Cl)C3=NNC(=O)CC3)=C(C1C4=CC=CC=C4Cl)C(=O)OC

InChI

InChIKey=IEWHOLAJSCSUMW-UHFFFAOYSA-N
InChI=1S/C31H32Cl2N4O8/c1-17-27(30(40)42-2)28(19-6-4-5-7-20(19)32)29(31(41)43-3)23(35-17)15-44-13-12-34-26(39)16-45-24-10-8-18(14-21(24)33)22-9-11-25(38)37-36-22/h4-8,10,14,28,35H,9,11-13,15-16H2,1-3H3,(H,34,39)(H,37,38)

HIDE SMILES / InChI

Molecular Formula C31H32Cl2N4O8
Molecular Weight 659.514
Charge 0
Count
Stereochemistry RACEMIC
Additional Stereochemistry No
Defined Stereocenters 0 / 1
E/Z Centers 0
Optical Activity ( + / - )

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 11:00:07 GMT 2023
Edited
by admin
on Sat Dec 16 11:00:07 GMT 2023
Record UNII
ACV050QCE2
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
ATI-22-107
Common Name English
ATI-22107
Code English
3,5-PYRIDINEDICARBOXYLIC ACID, 4-(2-CHLOROPHENYL)-2-((2-(((2-CHLORO-4-(1,4,5,6-TETRAHYDRO-6-OXO-3-PYRIDAZINYL)PHENOXY)ACETYL)AMINO)ETHOXY)METHYL)-1,4-DIHYDRO-6-METHYL-, DIMETHYL ESTER
Systematic Name English
3,5-PYRIDINEDICARBOXYLIC ACID, 4-(2-CHLOROPHENYL)-2-((2-((2-(2-CHLORO-4-(1,4,5,6-TETRAHYDRO-6-OXO-3-PYRIDAZINYL)PHENOXY)ACETYL)AMINO)ETHOXY)METHYL)-1,4-DIHYDRO-6-METHYL-, 3,5-DIMETHYL ESTER
Systematic Name English
Code System Code Type Description
FDA UNII
ACV050QCE2
Created by admin on Sat Dec 16 11:00:07 GMT 2023 , Edited by admin on Sat Dec 16 11:00:07 GMT 2023
PRIMARY
PUBCHEM
10009561
Created by admin on Sat Dec 16 11:00:07 GMT 2023 , Edited by admin on Sat Dec 16 11:00:07 GMT 2023
PRIMARY
CAS
681816-57-9
Created by admin on Sat Dec 16 11:00:07 GMT 2023 , Edited by admin on Sat Dec 16 11:00:07 GMT 2023
PRIMARY
Related Record Type Details
ACTIVE MOIETY