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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
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.
2000-12
Biotransformation of derivatives of the fungicides pentachloronitrobenzene and hexachlorobenzene in mammals.
1984-09
Evidence for the active renal secretion of S-pentachlorophenyl-N-acetyl-L-cysteine by female rats.
1983-12-15
Biotransformation of the fungicides hexachlorobenzene and pentachloronitrobenzene.
1981-07
Metabolic studies on pentachloronitrobenzene (PCNB) in rats.
1980-07-01
Substance Class Chemical
Created
by admin
on Mon Mar 31 18:56:22 GMT 2025
Edited
by admin
on Mon Mar 31 18:56:22 GMT 2025
Record UNII
6OK25K629M
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
N-ACETYL-S-(PENTACHLOROPHENYL)-L-CYSTEINE
Systematic Name English
PENTACHLOROPHENYLMERCAPTURIC ACID
Preferred 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 Mon Mar 31 18:56:22 GMT 2025 , Edited by admin on Mon Mar 31 18:56:22 GMT 2025
PRIMARY
CAS
68593-98-6
Created by admin on Mon Mar 31 18:56:22 GMT 2025 , Edited by admin on Mon Mar 31 18:56:22 GMT 2025
PRIMARY
PUBCHEM
129620
Created by admin on Mon Mar 31 18:56:22 GMT 2025 , Edited by admin on Mon Mar 31 18:56:22 GMT 2025
PRIMARY
FDA UNII
6OK25K629M
Created by admin on Mon Mar 31 18:56:22 GMT 2025 , Edited by admin on Mon Mar 31 18:56:22 GMT 2025
PRIMARY
EPA CompTox
DTXSID10218694
Created by admin on Mon Mar 31 18:56:22 GMT 2025 , Edited by admin on Mon Mar 31 18:56:22 GMT 2025
PRIMARY