elmustine

Modify Date: 2026-07-12 12:07:44

elmustine Structure
elmustine structure
 Common Name elmustine
CAS Number 60784-46-5 Molecular Weight 195.60400
Density 1.45g/cm3 Boiling Point N/A
Molecular Formula C5H10ClN3O3 Melting Point 56°C
MSDS N/A Flash Point N/A

 Names

Name 1-(2-chloroethyl)-3-(2-hydroxyethyl)-1-nitrosourea
Synonym More Synonyms

 Chemical & Physical Properties

Density 1.45g/cm3
Melting Point 56°C
Molecular Formula C5H10ClN3O3
Molecular Weight 195.60400
Exact Mass 195.04100
PSA 82.00000
LogP 0.30140
Index of Refraction 1.549
InChIKey YJZJEQBSODVMTH-UHFFFAOYSA-N
SMILES O=NN(CCCl)C(=O)NCCO

 Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
YS4986000
CHEMICAL NAME :
Urea, 1-(2-chloroethyl)-3-(2-hydroxyethyl)-1-nitroso-
CAS REGISTRY NUMBER :
60784-46-5
LAST UPDATED :
199612
DATA ITEMS CITED :
15
MOLECULAR FORMULA :
C5-H10-Cl-N3-O3
MOLECULAR WEIGHT :
195.63
WISWESSER LINE NOTATION :
Q2MVNNO&2G

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
25300 ug/kg
TOXIC EFFECTS :
Lungs, Thorax, or Respiration - chronic pulmonary edema Gastrointestinal - ulceration or bleeding from stomach Blood - changes in bone marrow (not otherwise specified)
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
25 mg/kg
TOXIC EFFECTS :
Tumorigenic - active as anti-cancer agent
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Intravenous
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
16 mg/kg/60W-I
TOXIC EFFECTS :
Tumorigenic - equivocal tumorigenic agent by RTECS criteria Gastrointestinal - tumors
TYPE OF TEST :
TD - Toxic dose (other than lowest)
ROUTE OF EXPOSURE :
Intravenous
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
32 mg/kg/60W-I
TOXIC EFFECTS :
Tumorigenic - equivocal tumorigenic agent by RTECS criteria Brain and Coverings - tumors Gastrointestinal - tumors
TYPE OF TEST :
TD - Toxic dose (other than lowest)
ROUTE OF EXPOSURE :
Intravenous
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
64 mg/kg/60W-I
TOXIC EFFECTS :
Tumorigenic - equivocal tumorigenic agent by RTECS criteria Lungs, Thorax, or Respiration - tumors Gastrointestinal - tumors
TYPE OF TEST :
TD - Toxic dose (other than lowest)
ROUTE OF EXPOSURE :
Intravenous
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
96 mg/kg/60W-I
TOXIC EFFECTS :
Tumorigenic - equivocal tumorigenic agent by RTECS criteria Lungs, Thorax, or Respiration - tumors Gastrointestinal - tumors
TYPE OF TEST :
Sex chromosome loss and nondisjunction
TYPE OF TEST :
Sex chromosome loss and nondisjunction
TYPE OF TEST :
DNA damage

MUTATION DATA

TYPE OF TEST :
Cytogenetic analysis
TEST SYSTEM :
Rodent - mouse Lung
DOSE/DURATION :
1 mg/L/1H
REFERENCE :
MUREAV Mutation Research. (Elsevier Science Pub. B.V., POB 211, 1000 AE Amsterdam, Netherlands) V.1- 1964- Volume(issue)/page/year: 44,87,1977

 Precursor & DownStream

Precursor  2

DownStream  0

 elmustineBioassay

View more

Name: NCI human tumor cell line growth inhibition assay. Data for the MCF7 Non-Small Cell L...
Source: DTP/NCI
Target: N/A
External Id: MCF7_OneDose
Name: NCI human tumor cell line growth inhibition assay. Data for the IGROV1 Non-Small Cell...
Source: DTP/NCI
Target: N/A
External Id: IGROV1_OneDose
Name: Median survival time including day-60 survivors (MST), after post implantation at the...
Source: ChEMBL
Target: Mus musculus
External Id: CHEMBL727447
Name: Number of day-60 survivors at the optimal dose of 6.25 mg/kg; 9/10
Source: ChEMBL
Target: Mus musculus
External Id: CHEMBL724683
Name: Optimal percentage of increased life span [(100 x MST treated mice / MST control mice...
Source: ChEMBL
Target: Mus musculus
External Id: CHEMBL725411
Total 5, Current Page 1 of 1
1

 Synonyms

Hydroxyethyl CNU
CNU-ethanol
1-(2-hydroxyethyl)-3-(2-chloroethyl)-3-nitroso urea
N-(2-Hydroxyethyl)-N'-(2-chloroethyl)-N'-nitrosourea
N1-(2-hydroxyethyl)-N3-(2-chloroethyl)-N3-nitrosourea
Hecnu
Elmustine
Elmustine [INN]
Elmustinum [Latin]
Elmustina [Spanish]
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