Molecular Identity
Levcromakalim
(3S,4R)-3-hydroxy-2,2-dimethyl-4-(2-oxopyrrolidin-1-yl)-3,4-dihydrochromene-6-carbonitrile
PubChem CID: 93504
Levcromakalim is a 1-benzopyran.
2D Structure
Properties
C16H18N2O3
Molecular Formula
286.33
Molecular Weight
g/mol
286.1317
Exact Mass
Da
0.8
XLogP
Drug-like (Lipinski: < 5)
73.6
TPSA
Good oral absorption (< 140 A²)
1
H-Bond Donors
4
H-Bond Acceptors
481
Complexity
SMILES
Canonical SMILES
SMILES: CC1(C(C(C2=C(O1)C=CC(=C2)C#N)N3CCCC3=O)O)CIsomeric SMILES
SMILES: CC1([C@H]([C@@H](C2=C(O1)C=CC(=C2)C#N)N3CCCC3=O)O)CSynonyms(20)
Levcromakalim94535-50-9(-)-CromakalimBRL-38227DTXSID5045677RW7PN4BLDJ2H-1-Benzopyran-6-carbonitrile, 3,4-dihydro-3-hydroxy-2,2-dimethyl-4-(2-oxo-1-pyrrolidinyl)-, (3S,trans)-(3S,4R)-3-hydroxy-2,2-dimethyl-4-(2-oxopyrrolidin-1-yl)chromane-6-carbonitrileDTXCID3025677levcromakalimumBRL38227RefChem:924700LemakalimBRL 38227BRL 34915
Data from PubChem (NCBI)
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Drug Network
Trials and conditions connected to Levcromakalim
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