CAS 55102-44-8|Bofumustine

Introduction：Basic information about CAS 55102-44-8|Bofumustine, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.

Table of Contents

1. Names
2. Chemical & Physical Properties
3. Toxicological Information
CHEMICAL IDENTIFICATION
HEALTH HAZARD DATA
ACUTE TOXICITY DATA
MUTATION DATA
4. Synonyms

Common Name	Bofumustine
CAS Number	55102-44-8	Molecular Weight	472.83400
Density	1.61g/cm3	Boiling Point	124.5°C (rough estimate)
Molecular Formula	C₁₈H₂₁ClN₄O₉	Melting Point	101.5°C
MSDS	/	Flash Point	/

Names

Name	Urea, N-(2-chloroethyl)-N'-[2,3-O-(1-methylethylidene)-5-O-(4-nitrobenzoyl)-D-ribofuranosyl]-N-nitroso
Synonym	More Synonyms

Chemical & Physical Properties

Density	1.61g/cm3
Boiling Point	124.5°C (rough estimate)
Melting Point	101.5°C
Molecular Formula	C₁₈H₂₁ClN₄O₉
Molecular Weight	472.83400
Exact Mass	472.10000
PSA	161.58000
LogP	2.84250
Index of Refraction	1.647
InChIKey	YASNUXZKZNVXIS-CBNXCZCTSA-N
SMILES	CC1(C)OC2C(COC(=O)c3ccc([N+](=O)[O-])cc3)OC(NC(=O)N(CCCl)N=O)C2O1

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :: YS5079000

CHEMICAL NAME :: Urea, 1-(2-chloroethyl)-1-nitroso-3-ribofuranosyl-, 5'-(p-nitrobenzoate), 2',3'-cyclic acetal with acetone

CAS REGISTRY NUMBER :: 55102-44-8

LAST UPDATED :: 199410

DATA ITEMS CITED :: 5

MOLECULAR FORMULA :: C18-H21-Cl-N4-O9

MOLECULAR WEIGHT :: 472.88

WISWESSER LINE NOTATION :: T55 BO DO GOTJ C1 C1 FMVNNO&2G H1OVR DNW

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Intraperitoneal

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 90 mg/kg

TOXIC EFFECTS :: Tumorigenic - active as anti-cancer agent

MUTATION DATA

TYPE OF TEST :: Mutation test systems - not otherwise specified

TEST SYSTEM :: Rodent - mouse Cells - not otherwise specified

DOSE/DURATION :: 2 mg/L

REFERENCE :: INSSDM INSERM Symposium. (Elsevier Science Pub. Co., Inc., 52 Vanderbilt Ave., New York, NY 10017) No.1- 1975- Volume(issue)/page/year: 19,229,1981

Synonyms

ICIG-1105

Bofumustine

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