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55102-44-8

55102-44-8 structure

55102-44-8 structure

Name: Bofumustine
Chemical Name: Urea, N-(2-chloroethyl)-N'-[2,3-O-(1-methylethylidene)-5-O-(4-nitrobenzoyl)-D-ribofuranosyl]-N-nitroso
CAS Number: 55102-44-8
Molecular Formula: C₁₈H₂₁ClN₄O₉
Molecular Weight: 472.83400
Catalog: API Antineoplastic agents Alkylating agent
Create Date: 2018-02-16 08:00:00
Modify Date: 2024-04-03 10:21:42

Name	Urea, N-(2-chloroethyl)-N'-[2,3-O-(1-methylethylidene)-5-O-(4-nitrobenzoyl)-D-ribofuranosyl]-N-nitroso
Synonyms	ICIG-1105 Bofumustine

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

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

51172-55-5 structure

51172-55-5

122-04-3 structure

122-04-3

96408-95-6 structure

96408-95-6

~%

55102-44-8 structure

55102-44-8

Literature: Montero; Leydet; Messiez-Munoz; et al. European Journal of Medicinal Chemistry, 1984 , vol. 19, # 6 p. 512 - 518

Precursor 2
51172-55-5 122-04-3
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