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Details

Stereochemistry ABSOLUTE
Molecular Formula C19H28N2O7S2
Molecular Weight 460.565
Optical Activity UNSPECIFIED
Defined Stereocenters 5 / 5
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of STX-140

SMILES

COC1=C(OS(N)(=O)=O)C=C2CC[C@H]3[C@@H]4CC[C@H](OS(N)(=O)=O)[C@@]4(C)CC[C@@H]3C2=C1

InChI

InChIKey=AQSNIXKAKUZPSI-SSTWWWIQSA-N
InChI=1S/C19H28N2O7S2/c1-19-8-7-12-13(15(19)5-6-18(19)28-30(21,24)25)4-3-11-9-17(27-29(20,22)23)16(26-2)10-14(11)12/h9-10,12-13,15,18H,3-8H2,1-2H3,(H2,20,22,23)(H2,21,24,25)/t12-,13+,15-,18-,19-/m0/s1

HIDE SMILES / InChI

Molecular Formula C19H28N2O7S2
Molecular Weight 460.565
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 5 / 5
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Targets

Primary TargetPharmacologyConditionPotency
39.0 nM [IC50]
379.0 nM [IC50]

PubMed

Substance Class Chemical
Record UNII
S57SQE6LE5
Record Status Validated (UNII)
Record Version