Nimustine hydrochlorideProduct ingredient for Nimustine
- Name
- Nimustine hydrochloride
- Drug Entry
- Nimustine
Nimustine has been used in trials studying the treatment of Glioblastoma.
- Accession Number
- DBSALT002899
- Structure
Structure for Nimustine hydrochloride (DBSALT002899)
- Synonyms
- Nimustine HCl / Nimustine hydrochloride
- External IDs
- CS-439
- UNII
- DFR965WKBU
- CAS Number
- 55661-38-6
- Weight
- Average: 309.15
Monoisotopic: 308.0555291 - Chemical Formula
- C9H14Cl2N6O2
- InChI Key
- KPMKNHGAPDCYLP-UHFFFAOYSA-N
- InChI
- InChI=1S/C9H13ClN6O2.ClH/c1-6-12-4-7(8(11)14-6)5-13-9(17)16(15-18)3-2-10;/h4H,2-3,5H2,1H3,(H,13,17)(H2,11,12,14);1H
- IUPAC Name
- 1-[(4-amino-2-methylpyrimidin-5-yl)methyl]-3-(2-chloroethyl)-3-nitrosourea hydrochloride
- SMILES
- Cl.CC1=NC=C(CNC(=O)N(CCCl)N=O)C(N)=N1
- External Links
- KEGG Compound
- C11276
- ChemSpider
- 82760
- ChEBI
- 7576
- ChEMBL
- CHEMBL1256616
- Predicted Properties
Property Value Source Water Solubility 0.149 mg/mL ALOGPS logP 0.8 ALOGPS logP 0.63 Chemaxon logS -3.3 ALOGPS pKa (Strongest Acidic) 12.94 Chemaxon pKa (Strongest Basic) 6.26 Chemaxon Physiological Charge 1 Chemaxon Hydrogen Acceptor Count 5 Chemaxon Hydrogen Donor Count 2 Chemaxon Polar Surface Area 113.57 Å2 Chemaxon Rotatable Bond Count 5 Chemaxon Refractivity 68.55 m3·mol-1 Chemaxon Polarizability 25.71 Å3 Chemaxon Number of Rings 1 Chemaxon Bioavailability 1 Chemaxon Rule of Five Yes Chemaxon Ghose Filter Yes Chemaxon Veber's Rule No Chemaxon MDDR-like Rule No Chemaxon