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

Details

Stereochemistry ACHIRAL
Molecular Formula C9H4Cl6O4
Molecular Weight 388.844
Optical Activity UNSPECIFIED
Defined Stereocenters 4 / 4
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of CHLORENDIC ACID

SMILES

OC(=O)[C@@H]1[C@H](C(O)=O)[C@]2(Cl)C(Cl)=C(Cl)[C@@]1(Cl)C2(Cl)Cl

InChI

InChIKey=DJKGDNKYTKCJKD-BPOCMEKLSA-N
InChI=1S/C9H4Cl6O4/c10-3-4(11)8(13)2(6(18)19)1(5(16)17)7(3,12)9(8,14)15/h1-2H,(H,16,17)(H,18,19)/t1-,2+,7+,8-

HIDE SMILES / InChI

Molecular Formula C9H4Cl6O4
Molecular Weight 388.844
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 4 / 4
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

PubMed

PubMed

TitleDatePubMed
Chlorendic acid.
2002
Prediction of rodent nongenotoxic carcinogenesis: evaluation of biochemical and tissue changes in rodents following exposure to nine nongenotoxic NTP carcinogens.
2002 Apr
Use of an avian hepatocyte assay and the avian Toxchip Polymerse chain reaction array for testing prioritization of 16 organic flame retardants.
2014 Mar
Patents
Substance Class Chemical
Created
by admin
on Sat Dec 16 07:55:10 GMT 2023
Edited
by admin
on Sat Dec 16 07:55:10 GMT 2023
Record UNII
IAC1H0N39L
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
CHLORENDIC ACID
Common Name English
CHLORENDIC ACID [IARC]
Common Name English
1,4,5,6,7,7-HEXACHLORODICYCLO-(2.2.1)-5-HEPTENE-2,3-DICARBOXYLIC ACID
Common Name English
2H,3H-HEXACHLOROBICYCLO(2.2.1)HEPT-5-ENE-2,3-DICARBOXYLIC ACID
Common Name English
HET ACID
Common Name English
NSC-41876
Code English
1,4,5,6,7,7-HEXACHLOROBICYCLO(2.2.1)HEPT-5-ENE-2,3-DICARBOXYLIC ACID
Systematic Name English
5-NORBORNENE-2,3-DICARBOXYLIC ACID, 1,4,5,6,7,7-HEXACHLORO-
Systematic Name English
PRILLIC ACID
Common Name English
NSC-22231
Code English
HEXACHLORO-ENDO-METHYLENETETRAHYDROPHTHALIC ACID
Common Name English
HEXACHLOROENDOMETHYLENETETRAHYDROPHTHALIC ACID
Common Name English
BICYCLO(2.2.1)HEPT-5-ENE-2,3-DICARBOXYLIC ACID, 1,4,5,6,7,7-HEXACHLORO-
Systematic Name English
1,4,5,6,7,7-HEXACHLORO-5-NORBORNENE-2,3-DICARBOXYLIC ACID
Systematic Name English
BICYCLO(2.2.1)HEPT-5-ENE-2,3-DICARBOXYLIC ACID, 1,4,5,6,7,7-HEXACHLORO-, (1R,2S,3R,4S)-REL-
Systematic Name English
1,4,5,6,7,7-HEXACHLORO-8,9,10-TRINORBORN-5-ENE-2,3-DICARBOXYLIC ACID [HSDB]
Common Name English
1,4,5,6,7,7-HEXACHLOROBICYCLO-(2,2,1)HEPT-5-EN-2,3-DICARBOXYLIC ACID
Systematic Name English
Classification Tree Code System Code
NCI_THESAURUS C45410
Created by admin on Sat Dec 16 07:55:10 GMT 2023 , Edited by admin on Sat Dec 16 07:55:10 GMT 2023
Code System Code Type Description
HSDB
115-28-6
Created by admin on Sat Dec 16 07:55:10 GMT 2023 , Edited by admin on Sat Dec 16 07:55:10 GMT 2023
PRIMARY
NSC
41876
Created by admin on Sat Dec 16 07:55:10 GMT 2023 , Edited by admin on Sat Dec 16 07:55:10 GMT 2023
PRIMARY
EPA CompTox
DTXSID2020268
Created by admin on Sat Dec 16 07:55:10 GMT 2023 , Edited by admin on Sat Dec 16 07:55:10 GMT 2023
PRIMARY
WIKIPEDIA
Chlorendic acid
Created by admin on Sat Dec 16 07:55:10 GMT 2023 , Edited by admin on Sat Dec 16 07:55:10 GMT 2023
PRIMARY
CAS
21678-54-6
Created by admin on Sat Dec 16 07:55:10 GMT 2023 , Edited by admin on Sat Dec 16 07:55:10 GMT 2023
PRIMARY
FDA UNII
IAC1H0N39L
Created by admin on Sat Dec 16 07:55:10 GMT 2023 , Edited by admin on Sat Dec 16 07:55:10 GMT 2023
PRIMARY
CHEBI
76603
Created by admin on Sat Dec 16 07:55:10 GMT 2023 , Edited by admin on Sat Dec 16 07:55:10 GMT 2023
PRIMARY
NSC
22231
Created by admin on Sat Dec 16 07:55:10 GMT 2023 , Edited by admin on Sat Dec 16 07:55:10 GMT 2023
PRIMARY
PUBCHEM
3246086
Created by admin on Sat Dec 16 07:55:10 GMT 2023 , Edited by admin on Sat Dec 16 07:55:10 GMT 2023
PRIMARY
CAS
115-28-6
Created by admin on Sat Dec 16 07:55:10 GMT 2023 , Edited by admin on Sat Dec 16 07:55:10 GMT 2023
NON-SPECIFIC STEREOCHEMISTRY
NCI_THESAURUS
C44353
Created by admin on Sat Dec 16 07:55:10 GMT 2023 , Edited by admin on Sat Dec 16 07:55:10 GMT 2023
PRIMARY NCIT
ECHA (EC/EINECS)
204-078-9
Created by admin on Sat Dec 16 07:55:10 GMT 2023 , Edited by admin on Sat Dec 16 07:55:10 GMT 2023
PRIMARY