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

Details

Stereochemistry RACEMIC
Molecular Formula C4H10NO3PS
Molecular Weight 183.166
Optical Activity ( + / - )
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of ACEPHATE

SMILES

COP(=O)(NC(C)=O)SC

InChI

InChIKey=YASYVMFAVPKPKE-UHFFFAOYSA-N
InChI=1S/C4H10NO3PS/c1-4(6)5-9(7,8-2)10-3/h1-3H3,(H,5,6,7)

HIDE SMILES / InChI

Molecular Formula C4H10NO3PS
Molecular Weight 183.166
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Targets

Primary TargetPharmacologyConditionPotency
4.0 µM [IC50]
Substance Class Chemical
Record UNII
3Y417O444D
Record Status Validated (UNII)
Record Version