LAROMUSTINE

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Synonyms
Status
Molecule Category Free-form
UNII 14J2G0U3NQ
EPA CompTox DTXSID30169614

Structure

InChI Key PVCULFYROUOVGJ-UHFFFAOYSA-N
Smiles CNC(=O)N(N(CCCl)S(C)(=O)=O)S(C)(=O)=O
InChI
InChI=1S/C6H14ClN3O5S2/c1-8-6(11)10(17(3,14)15)9(5-4-7)16(2,12)13/h4-5H2,1-3H3,(H,8,11)

Physicochemical Descriptors

Property Name Value
Molecular Formula C6H14ClN3O5S2
Molecular Weight 307.78
AlogP -1.0
Hydrogen Bond Acceptor 5.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 5.0
Polar Surface Area 103.86
Molecular species NEUTRAL
Aromatic Rings 0.0
Heavy Atoms 17.0

Pharmacology

Mechanism of Action Action Reference
DNA cross-linking agent CROSS-LINKING AGENT PubMed

Cross References

Resources Reference
ChEMBL CHEMBL167691
DrugBank DB05817
FDA SRS 14J2G0U3NQ
PubChem 3081349
SureChEMBL SCHEMBL2416976
ZINC ZINC000001544545
CONTENTS