N-(2-Chloroethyl)-N'-(2,6-dihydroxycyclohexyl)-N-nitrosourea
1-(2-chloroethyl)-3-[(2R,6S)-2,6-dihydroxycyclohexyl]-1-nitrosourea
Molecular Identity
N-(2-Chloroethyl)-N'-(2,6-dihydroxycyclohexyl)-N-nitrosourea
1-(2-chloroethyl)-3-[(2R,6S)-2,6-dihydroxycyclohexyl]-1-nitrosourea
PubChem CID: 319665
2D Structure
Properties
C9H16ClN3O4
Molecular Formula
265.69
Molecular Weight
g/mol
265.0829
Exact Mass
Da
0.2
XLogP
Drug-like (Lipinski: < 5)
102
TPSA
Good oral absorption (< 140 A²)
3
H-Bond Donors
5
H-Bond Acceptors
269
Complexity
SMILES
Canonical SMILES
SMILES: C1CC(C(C(C1)O)NC(=O)N(CCCl)N=O)OIsomeric SMILES
SMILES: C1C[C@H](C([C@H](C1)O)NC(=O)N(CCCl)N=O)OSynonyms(20)
DONU58484-17-6NSC 2643954093G4WO6QNSC-2643952-((((2-Chloroethyl)-nitrosoamino)carbonyl)amino)-1,3-cyclohexanediolUNII-4093G4WO6Qtrans,trans-2,6-Dihydroxy-ccnuN-(2-Chloroethyl)-N'-(2,6-dihydroxycyclohexyl)-N-nitrosoureatrans,6-Dihydroxy CCNUorb2814928Urea,6-dihydroxyhexyl)-N-nitroso-2-((((2-Chloroethyl)nitrosoamino)carbonyl)amino)-1,3-cyclohexanediolNSC264395trans-1-(2-Chloroethyl)-3-(2,6-dihydroxycyclohexyl)-1-nitrosourea
Data from PubChem (NCBI)
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Molecular Structure
N-(2-Chloroethyl)-N'-(2,6-dihydroxycyclohexyl)-N-nitrosourea
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Drug Network
Trials and conditions connected to N-(2-Chloroethyl)-N'-(2,6-dihydroxycyclohexyl)-N-nitrosourea
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