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Details

Stereochemistry RACEMIC
Molecular Formula C7H12N2O4S
Molecular Weight 220.246
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of S-NITROSO-N-ACETYLPENICILLAMINE, (±)-

SMILES

CC(=O)NC(C(O)=O)C(C)(C)SN=O

InChI

InChIKey=ZIIQCSMRQKCOCT-UHFFFAOYSA-N
InChI=1S/C7H12N2O4S/c1-4(10)8-5(6(11)12)7(2,3)14-9-13/h5H,1-3H3,(H,8,10)(H,11,12)

HIDE SMILES / InChI

Molecular Formula C7H12N2O4S
Molecular Weight 220.246
Charge 0
Count
Stereochemistry RACEMIC
Additional Stereochemistry No
Defined Stereocenters 0 / 1
E/Z Centers 0
Optical Activity ( + / - )

Approval Year

Targets

Targets

Primary TargetPharmacologyConditionPotency
7.0 µM [IC50]
Substance Class Chemical
Created
by admin
on Sat Dec 16 17:30:20 GMT 2023
Edited
by admin
on Sat Dec 16 17:30:20 GMT 2023
Record UNII
C4AX527AX8
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
S-NITROSO-N-ACETYLPENICILLAMINE, (±)-
Systematic Name English
VALINE, N-ACETYL-3-(NITROSOTHIO)-
Systematic Name English
DL-VALINE, N-ACETYL-3-(NITROSOTHIO)-
Systematic Name English
N-ACETYL-S-NITROSO-DL-PENICILLAMINE
Systematic Name English
N-ACETYL-S-NITROSOPENICILLAMINE
Systematic Name English
S-NITROSOACETYLPENICILLAMINE
Common Name English
S-NITROSO-N-ACETYL-DL-PENICILLAMINE
Systematic Name English
2-ACETAMIDO-3-METHYL-3-(NITROSOTHIO)BUTANOIC ACID
Systematic Name English
SNAP (±)-
Common Name English
N-ACETYL-3-(NITROSOTHIO)VALINE
Systematic Name English
Code System Code Type Description
CHEBI
77702
Created by admin on Sat Dec 16 17:30:20 GMT 2023 , Edited by admin on Sat Dec 16 17:30:20 GMT 2023
PRIMARY
FDA UNII
C4AX527AX8
Created by admin on Sat Dec 16 17:30:20 GMT 2023 , Edited by admin on Sat Dec 16 17:30:20 GMT 2023
PRIMARY
PUBCHEM
5231
Created by admin on Sat Dec 16 17:30:20 GMT 2023 , Edited by admin on Sat Dec 16 17:30:20 GMT 2023
PRIMARY
EPA CompTox
DTXSID70987112
Created by admin on Sat Dec 16 17:30:20 GMT 2023 , Edited by admin on Sat Dec 16 17:30:20 GMT 2023
PRIMARY
CAS
67776-06-1
Created by admin on Sat Dec 16 17:30:20 GMT 2023 , Edited by admin on Sat Dec 16 17:30:20 GMT 2023
PRIMARY
Related Record Type Details
ENANTIOMER -> RACEMATE