Compound Summary
Compound Information
Nimustine hydrochloride
Compound Name: | Nimustine hydrochloride |
Compound CID: | 91657 |
Synonyms: | Nimustine hydrochloride Nimustine HCl 55661-38-6 ACNU Nidran More... |
Iupac Name: | 3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-1-(2-chloroethyl)-1-nitrosourea;hydrochloride |
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 |
InChIKey: | KPMKNHGAPDCYLP-UHFFFAOYSA-N |
Canonical Smiles: | CC1=NC=C(C(=N1)N)CNC(=O)N(CCCl)N=O.Cl |
Isomeric Smiles: | CC1=NC=C(C(=N1)N)CNC(=O)N(CCCl)N=O.Cl |
Molecular Weight: | 309.15 |
Molecular Formula: | C9H14Cl2N6O2 |
Compound Structure
2D Structure:
3D Structure:
Computed Properties
Nimustine hydrochloride
Molecular Weight: | 309.15 |
Molecular Formula: | C9H14Cl2N6O2 |
Hydrogen Bond Donor Count: | 3 |
Hydrogen Bond Acceptor Count: | 6 |
Rotatable Bond Count: | 4 |
Heavy Atom Count: | 19 |
Complexity: | 292 |
Synonyms
Nimustine hydrochloride
| Nimustine hydrochloride | Nimustine hydrochloride |
|---|---|
Nimustine hydrochloride |
Nimustine HCl |
55661-38-6 |
ACNU |
Nidran |
Nidran hydrochloride |
Nimustine (hydrochloride) |
Nimustina clorhidrato |
CS 439 HCl |
UNII-DFR965WKBU |
NSC-245,382 |
DFR965WKBU |
Nimustine hydrochloride JAN |
CHEBI:7576 |
52208-23-8 |
MFCD01676942 |
3-((4-Amino-2-methyl-5-pyrimidinyl)methyl)-1-(2-chloroethyl)-1-nitrosourea hydrochloride |
3-(4-amino-2-methyl-5-pyrimidinyl)methyl-1-(2-chloroethyl)-1-nitrosourea hydrochloride |
3-(4-amino-2-methylpyrimidin-5-yl)methyl-1-(2-chloroethyl)-1-nitrosourea hydrochloride |
Urea, N-((4-amino-2-methyl-5-pyrimidinyl)methyl)-N-(2-chloroethyl)-N-nitroso-, monohydrochloride (9CI) |
Nimustine hydrochloride (JAN) |
1-(4-Amino-2-methyl-5-pyrimidinyl)methyl-3-(2-chloroethyl)-3-nitrosourea Hydrochloride |
Nimustina clorhidrato Spanish |
CS-439 |
3-((4-Amino-2-methylpyrimidin-5-yl)methyl)-1-(2-chloroethyl)-1-nitrosourea hydrochloride |
3-(4-azanyl-2-methyl-pyrimidin-5-yl)methyl-1-(2-chloroethyl)-1-nitroso-urea hydrochloride |
Nidran (TN) |
pimustine hydrochloride |
Nimustine HCl(ACNU) |
nimustine monohydrochloride |
1-(2-Cloroetil)-1-nitroso-3-((2-metil-4-aminopirimidin-5-il)metil)urea clorhidrato Spanish |
1-(4-Amino-2-methyl-5-pyrimidinyl)methyl-3-(2-chloroethyl)-3-nitrosourea hydrochloride |
1-(4-Amino-2-methylpyrimidine-5-yl)methyl-3-(2-chloroethyl)-3-nitrosourea hydrochloride |
N-((4-Amino-2-methyl-5-pyrimidinyl)methyl)-N-(2-chloroethyl)-N-nitrosourea HCl" |
N-((4-Amino-2-metil-5-pirimidinil)metil)-N-(2-cloroetil)-N-nitrosourea clorhidrato Spanish |
SCHEMBL98303 |
ACNU 50 |
C9H14Cl2N6O2 |
MLS002153238 |
Nimustine hydrochloride, solid |
CHEMBL1256616 |
DTXSID80204185 |
AMY23419 |
BCP11668 |
HY-13703A |
NSC245382 |
s5293 |
AKOS015895226 |
CCG-267570 |
MCULE-2422791904 |
NSC-245382 |
1-(2-Cloroetil)-1-nitroso-3-((2-metil-4-aminopirimidin-5-il)metil)urea clorhidrato |
3-(4-amino-2-methyl-pyrimidin-5-yl)methyl-1-(2-chloroethyl)-1-nitroso-urea hydrochloride |
3-(4-amino-2-methylpyrimidin-5-yl)methyl-1-(2-chloroethyl)-1-nitrosourea;hydrochloride |
N-((4-Amino-2-metil-5-pirimidinil)metil)-N-(2-cloroetil)-N-nitrosourea clorhidrato |
AC-15840 |
BN164659 |
BS-44102 |
SMR001230702 |
Urea, 3-((4-amino-2-methyl-5-pyrimidinyl)methyl)-1-(2-chloroethyl)-1-nitroso-, monohydrochloride |
WLN: T6N CNJ B1 DZ E1MVNNO&2G |
CS-0007733 |
FT-0630684 |
N0821 |
A12636 |
D01059 |
208N238 |
A825909 |
A828980 |
A830740 |
Q27107532 |
Nimustine HCl; NSC-245,382; NSC245,382; NSC 245,382 |
1-(4-Amino-2-methylpyrimidin-5-yl)methyl-3-(2-chloroethyl)-3-nitrosourea |
1-(4-amino-2-methylpyrimidin-5-yl)methyl-3-(2-chloroethyl)-3-nitrosourea hydrochloride |
N-(4-Amino-2-methyl-5-pyrimidinyl)methyl-N-(2-chloroethyl)-N-nitrosourea hydrochloride |
Urea, 3-(4-amino-2-methyl-5-pyrimidinyl)methyl-1-(2-chloroethyl)-1-nitroso- |
Experimental Data
Nimustine hydrochloride
| Species | Dosage | Unit | CG Lifespan(AVG/MED days) | TG Lifespan(AVG/MED days) | Lifespan Change(AVG/MED%) | CG Lifespan(MAX days) | TG Lifespan(MAX days) | Lifespan Change(MAX%) | Significant | Strain | Gender | PubMed | Active Label |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Caenorhabditis elegans | 33 | umol/L | -2 | NS | N2 | 24134630 | Inactive |
Experimental Data Visualization
Nimustine hydrochloride
Statistics Data
Nimustine hydrochloride
| Species | Lifespan Change(AVG/MED%) | Lifespan Change(MAX%) | Count Reference | Count Data point |
|---|---|---|---|---|
| Caenorhabditis elegans | -2 | 1 | 1 |
Statistics Data Visualization
Nimustine hydrochloride
