Irosustat
(6-oxo-8,9,10,11-tetrahydro-7H-cyclohepta[c]chromen-3-yl) sulfamate
Molecular Identity
Irosustat
(6-oxo-8,9,10,11-tetrahydro-7H-cyclohepta[c]chromen-3-yl) sulfamate
PubChem CID: 5287541
2D Structure
Properties
C14H15NO5S
Molecular Formula
309.34
Molecular Weight
g/mol
309.0671
Exact Mass
Da
2.3
XLogP
Drug-like (Lipinski: < 5)
104
TPSA
Good oral absorption (< 140 A²)
1
H-Bond Donors
6
H-Bond Acceptors
562
Complexity
SMILES
Canonical SMILES
SMILES: Synonyms(20)
Irosustat288628-05-7STX64667-Coumate667 coumateSTX-64BN83495STX 64BN-83495BN 83495Sulfamic acid, 6,7,8,9,10,11-hexahydro-6-oxobenzo[b]cyclohepta[d]pyran-3-yl ester366037O6O7DTXSID501830596-oxo-8,9,10,11-tetrahydro-7H-cyclohepta-(c)(1)benzopyran-3-O-sulfamateSulfamic acid, 6,7,8,9,10,11-hexahydro-6-oxobenzo(b)cyclohepta(d)pyran-3-yl ester
Data from PubChem (NCBI)
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