2,5-Bis(1-aziridinyl)-3-(hydroxymethyl)-6-methyl-2,5-cyclohexadiene-1,4-dione
2,5-bis(aziridin-1-yl)-3-(hydroxymethyl)-6-methylcyclohexa-2,5-diene-1,4-dione
Molecular Identity
2,5-Bis(1-aziridinyl)-3-(hydroxymethyl)-6-methyl-2,5-cyclohexadiene-1,4-dione
2,5-bis(aziridin-1-yl)-3-(hydroxymethyl)-6-methylcyclohexa-2,5-diene-1,4-dione
PubChem CID: 394347
2D Structure
Properties
C12H14N2O3
Molecular Formula
234.25
Molecular Weight
g/mol
234.1004
Exact Mass
Da
0.1
XLogP
Drug-like (Lipinski: < 5)
60.4
TPSA
Good oral absorption (< 140 A²)
1
H-Bond Donors
5
H-Bond Acceptors
482
Complexity
SMILES
Canonical SMILES
SMILES: CC1=C(C(=O)C(=C(C1=O)N2CC2)CO)N3CC3Isomeric SMILES
SMILES: CC1=C(C(=O)C(=C(C1=O)N2CC2)CO)N3CC3Synonyms(20)
221635-42-32,5-Bis(1-aziridinyl)-3-(hydroxymethyl)-6-methyl-2,5-cyclohexadiene-1,4-dioneRefChem:197402RH-1RH 1RH12,5-bis(aziridin-1-yl)-3-(hydroxymethyl)-6-methylcyclohexa-2,5-diene-1,4-dioneIJ5CEP760YNSC-697726NSC697726UNII-IJ5CEP760YNSC 697726MLS0027029412,5-Cyclohexadiene-1,4-dione, 2,5-bis(1-aziridinyl)-3-(hydroxymethyl)-6-methyl-NCIMech_000177
Data from PubChem (NCBI)
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Molecular Structure
2,5-Bis(1-aziridinyl)-3-(hydroxymethyl)-6-methyl-2,5-cyclohexadiene-1,4-dione
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Drug Network
Trials and conditions connected to 2,5-Bis(1-aziridinyl)-3-(hydroxymethyl)-6-methyl-2,5-cyclohexadiene-1,4-dione
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