Products for Research Use Only
RegisterLogin

Nimustine

CAT: 0013-GTR19201801-01Size: 25 mgDry Ice: NoHazardous: No
Product image 1
1 / 1
CAT#:0013-GTR19201801-01Size:25 mg
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
Quick Request Actions
Description
Nimustine is a nitrosourea-based alkylating agent used as an antineoplastic drug, notably in research on gliomas and other brain tumors. It is employed in both in vitro cytotoxicity assays and in vivo models to study its mechanisms and efficacy, often in combination with radiotherapy or other chemotherapeutic agents.
CAS Number
42471-28-3
Field of Research
Cell Biology, Pharmacology & Drug Discovery
Smiles
C (NC (N (CCCl) N=O) =O) C=1C (N) =NC (C) =NC1
Molecular Formula
C9H13ClN6O2
Molecular Weight
272.69
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Nimustine

Nimustine is an organochlorine compound that is urea in which the two hydrogens on one of the amino groups are replaced by nitroso and 2-chloroethyl groups and one hydrogen from the other amino group is replaced by a 4-amino-2-methylpyrimidin-5-ylmethyl] group. An antineoplastic agent especially effective against malignant brain tumors. It has a role as an alkylating agent and an antineoplastic agent. It is an organochlorine compound, an aminopyrimidine and a member of N-nitrosoureas. It is a conjugate base of a nimustine(1+).

CAS Number42471-28-3
PubChem CID39214
IUPAC Name3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-1-(2-chloroethyl)-1-nitrosourea
Molecular FormulaC9H13ClN6O2
Molecular Weight272.69
XLogP0.4
Topological Polar Surface Area114
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count4
Heavy Atom Count18
Formal Charge0
Complexity292
SMILES
CC1=NC=C(C(=N1)N)CNC(=O)N(CCCl)N=O
InChI
InChI=1S/C9H13ClN6O2/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)
InChIKey
VFEDRRNHLBGPNN-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Nimustine
CAS: 42471-28-3
CID: 39214
Formula: C9H13ClN6O2
MW: 272.69
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight272.69
XLogP30.4
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count4
Exact Mass272.0788514
Monoisotopic Mass272.0788514
Topological Polar Surface Area114 Ų
Heavy Atom Count18
Formal Charge0
Complexity292
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
HY-13703Nimustine
FN65105-01Nimustine HCl
460770-01Nimustine Hydrochloride
HY-13703A-01Nimustine (hydrochloride)
A17583-10Nimustine Hydrochloride 10mg
A17583-100Nimustine Hydrochloride 100mg
A17583-25Nimustine Hydrochloride 25mg

Popular Products