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Details

Stereochemistry ABSOLUTE
Molecular Formula C11H8Cl5NO3S
Molecular Weight 411.516
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of N-ACETYL-S-(PENTACHLOROPHENYL)-L-CYSTEINE

SMILES

CC(=O)N[C@@H](CSC1=C(Cl)C(Cl)=C(Cl)C(Cl)=C1Cl)C(O)=O

InChI

InChIKey=CXDOSRKBOPYXSZ-BYPYZUCNSA-N
InChI=1S/C11H8Cl5NO3S/c1-3(18)17-4(11(19)20)2-21-10-8(15)6(13)5(12)7(14)9(10)16/h4H,2H2,1H3,(H,17,18)(H,19,20)/t4-/m0/s1

HIDE SMILES / InChI

Molecular Formula C11H8Cl5NO3S
Molecular Weight 411.516
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 1 / 1
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

PubMed

PubMed

TitleDatePubMed
Metabolic studies on pentachloronitrobenzene (PCNB) in rats.
1980 Jul-Aug
Biotransformation of the fungicides hexachlorobenzene and pentachloronitrobenzene.
1981 Jul
The mercapturic acid biotransformation pathway of hexachlorobenzene is not involved in the induction of splenomegaly, or skin and lung lesions in the Brown Norway rat.
2000 Dec
Substance Class Chemical
Created
by admin
on Fri Dec 15 17:53:35 GMT 2023
Edited
by admin
on Fri Dec 15 17:53:35 GMT 2023
Record UNII
6OK25K629M
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
N-ACETYL-S-(PENTACHLOROPHENYL)-L-CYSTEINE
Systematic Name English
PENTACHLOROPHENYLMERCAPTURIC ACID
Common Name English
N-ACETYL-S-(PENTACHLOROPHENYL)CYSTEINE
Systematic Name English
L-CYSTEINE, N-ACETYL-S-(PENTACHLOROPHENYL)-
Systematic Name English
S-PENTACHLOROPHENYL-N-ACETYL-L-CYSTEINE
Common Name English
Code System Code Type Description
MESH
C027672
Created by admin on Fri Dec 15 17:53:35 GMT 2023 , Edited by admin on Fri Dec 15 17:53:35 GMT 2023
PRIMARY
CAS
68593-98-6
Created by admin on Fri Dec 15 17:53:35 GMT 2023 , Edited by admin on Fri Dec 15 17:53:35 GMT 2023
PRIMARY
PUBCHEM
129620
Created by admin on Fri Dec 15 17:53:35 GMT 2023 , Edited by admin on Fri Dec 15 17:53:35 GMT 2023
PRIMARY
FDA UNII
6OK25K629M
Created by admin on Fri Dec 15 17:53:35 GMT 2023 , Edited by admin on Fri Dec 15 17:53:35 GMT 2023
PRIMARY
EPA CompTox
DTXSID10218694
Created by admin on Fri Dec 15 17:53:35 GMT 2023 , Edited by admin on Fri Dec 15 17:53:35 GMT 2023
PRIMARY