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

Details

Stereochemistry ABSOLUTE
Molecular Formula C22H17ClF3N3O7
Molecular Weight 527.834
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of INDOXACARB, (-)-

SMILES

COC(=O)N(C(=O)N1CO[C@@]2(CC3=CC(Cl)=CC=C3C2=N1)C(=O)OC)C4=CC=C(OC(F)(F)F)C=C4

InChI

InChIKey=VBCVPMMZEGZULK-OAQYLSRUSA-N
InChI=1S/C22H17ClF3N3O7/c1-33-18(30)21-10-12-9-13(23)3-8-16(12)17(21)27-28(11-35-21)19(31)29(20(32)34-2)14-4-6-15(7-5-14)36-22(24,25)26/h3-9H,10-11H2,1-2H3/t21-/m1/s1

HIDE SMILES / InChI

Molecular Formula C22H17ClF3N3O7
Molecular Weight 527.834
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 Mon Mar 31 22:55:11 GMT 2025
Edited
by admin
on Mon Mar 31 22:55:11 GMT 2025
Record UNII
610LV0BX3Y
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
DPX-KN-127
Preferred Name English
INDOXACARB, (-)-
Common Name English
INDOXACARB, (R)-
Common Name English
IN-KN-127
Code English
(R)-INDOXACARB
Common Name English
INDENO(1,2-E)(1,3,4)OXADIAZINE-4A(3H)-CARBOXYLIC ACID, 7-CHLORO-2,5-DIHYDRO-2-(((METHOXYCARBONYL)(4-(TRIFLUOROMETHOXY)PHENYL)AMINO)CARBONYL)-, METHYL ESTER, (4AR)-
Systematic Name English
Code System Code Type Description
FDA UNII
610LV0BX3Y
Created by admin on Mon Mar 31 22:55:11 GMT 2025 , Edited by admin on Mon Mar 31 22:55:11 GMT 2025
PRIMARY
EPA CompTox
DTXSID601317230
Created by admin on Mon Mar 31 22:55:11 GMT 2025 , Edited by admin on Mon Mar 31 22:55:11 GMT 2025
PRIMARY
PUBCHEM
18772464
Created by admin on Mon Mar 31 22:55:11 GMT 2025 , Edited by admin on Mon Mar 31 22:55:11 GMT 2025
PRIMARY
CAS
185608-75-7
Created by admin on Mon Mar 31 22:55:11 GMT 2025 , Edited by admin on Mon Mar 31 22:55:11 GMT 2025
PRIMARY