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

Details

Stereochemistry ABSOLUTE
Molecular Formula C14H13N5O5S2
Molecular Weight 395.414
Optical Activity UNSPECIFIED
Defined Stereocenters 2 / 2
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of DEACETYLCEFOTAXIME LACTONE

SMILES

[H][C@]12SCC3=C(N1C(=O)[C@H]2NC(=O)C(=N/OC)\C4=CSC(N)=N4)C(=O)OC3

InChI

InChIKey=MCSWUKXFFGUOQE-GHXIOONMSA-N
InChI=1S/C14H13N5O5S2/c1-23-18-7(6-4-26-14(15)16-6)10(20)17-8-11(21)19-9-5(2-24-13(9)22)3-25-12(8)19/h4,8,12H,2-3H2,1H3,(H2,15,16)(H,17,20)/b18-7-/t8-,12-/m1/s1

HIDE SMILES / InChI

Molecular Formula C14H13N5O5S2
Molecular Weight 395.414
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 2 / 2
E/Z Centers 1
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Record UNII
3Z40JM5X8L
Record Status Validated (UNII)
Record Version