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Details

Stereochemistry ABSOLUTE
Molecular Formula C7H12ClNO3S
Molecular Weight 225.693
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of N-ACETYL-S-(2-CHLOROETHYL)-L-CYSTEINE

SMILES

CC(=O)N[C@@H](CSCCCl)C(O)=O

InChI

InChIKey=PUOICJBSGWOTFX-LURJTMIESA-N
InChI=1S/C7H12ClNO3S/c1-5(10)9-6(7(11)12)4-13-3-2-8/h6H,2-4H2,1H3,(H,9,10)(H,11,12)/t6-/m0/s1

HIDE SMILES / InChI

Molecular Formula C7H12ClNO3S
Molecular Weight 225.693
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 mutagenic effect of 1,2-dichloroethane on Salmonella typhimurium. II. Activation by the isolated perfused rat liver.
1979 Mar
Substance Class Chemical
Created
by admin
on Fri Dec 15 18:54:56 GMT 2023
Edited
by admin
on Fri Dec 15 18:54:56 GMT 2023
Record UNII
CV06XJ4CPY
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
N-ACETYL-S-(2-CHLOROETHYL)-L-CYSTEINE
Systematic Name English
L-CYSTEINE, N-ACETYL-S-(2-CHLOROETHYL)-
Systematic Name English
N-ACETYL-S-(2-CHLOROETHYL)CYSTEINE
Systematic Name English
Code System Code Type Description
EPA CompTox
DTXSID401031929
Created by admin on Fri Dec 15 18:54:56 GMT 2023 , Edited by admin on Fri Dec 15 18:54:56 GMT 2023
PRIMARY
CAS
58337-49-8
Created by admin on Fri Dec 15 18:54:56 GMT 2023 , Edited by admin on Fri Dec 15 18:54:56 GMT 2023
PRIMARY
PUBCHEM
42724
Created by admin on Fri Dec 15 18:54:56 GMT 2023 , Edited by admin on Fri Dec 15 18:54:56 GMT 2023
PRIMARY
FDA UNII
CV06XJ4CPY
Created by admin on Fri Dec 15 18:54:56 GMT 2023 , Edited by admin on Fri Dec 15 18:54:56 GMT 2023
PRIMARY