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

Details

Stereochemistry ABSOLUTE
Molecular Formula C7H12N2O4S
Molecular Weight 220.246
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of S-NITROSO-N-ACETYLPENICILLAMINE

SMILES

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

InChI

InChIKey=ZIIQCSMRQKCOCT-RXMQYKEDSA-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)/t5-/m1/s1

HIDE SMILES / InChI

Molecular Formula C7H12N2O4S
Molecular Weight 220.246
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 1 / 1
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Targets

Primary TargetPharmacologyConditionPotency
7.0 µM [IC50]
Substance Class Chemical
Record UNII
6E47VKF8B8
Record Status Validated (UNII)
Record Version