Urea, N-(2-chloroethyl)-N-nitroso-N-(2,3,4,6-tetra-O-acetyl-beta-D-glucopyranosyl)- (9CI)

Modify Date: 2025-09-06 17:33:32

Urea, N-(2-chloroethyl)-N-nitroso-N-(2,3,4,6-tetra-O-acetyl-beta-D-glucopyranosyl)- (9CI) structure	Common Name	Urea, N-(2-chloroethyl)-N-nitroso-N-(2,3,4,6-tetra-O-acetyl-beta-D-glucopyranosyl)- (9CI)
	CAS Number	42936-80-1	Molecular Weight	481.83900
	Density	N/A	Boiling Point	N/A
	Molecular Formula	C₁₇H₂₄ClN₃O₁₁	Melting Point	N/A
	MSDS	N/A	Flash Point	N/A

Name	[3,4,5-triacetyloxy-6-[[2-chloroethyl(nitroso)carbamoyl]amino]oxan-2-yl]methyl acetate

Molecular Formula	C₁₇H₂₄ClN₃O₁₁
Molecular Weight	481.83900
Exact Mass	481.11000
PSA	176.20000
LogP	0.39220
InChIKey	AOUKENUMKWIYHM-UHFFFAOYSA-N
SMILES	CC(=O)OCC1OC(NC(=O)N(CCCl)N=O)C(OC(C)=O)C(OC(C)=O)C1OC(C)=O

CHEMICAL IDENTIFICATION

RTECS NUMBER :: YS5083000

CHEMICAL NAME :: Urea, 1-(2-chloroethyl)-1-nitroso-3-(2,3,4,6-tetra-O-acetyl -D-glucopyranos-1-yl)-

CAS REGISTRY NUMBER :: 42936-80-1

LAST UPDATED :: 199612

DATA ITEMS CITED :: 1

MOLECULAR FORMULA :: C17-H24-Cl-N3-O11

MOLECULAR WEIGHT :: 481.89

WISWESSER LINE NOTATION :: T6OTJ BMVNNO&2G COV1 DOV1 EOV1 F1OV1

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 :: 76010 ug/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

REFERENCE :: NCISP* National Cancer Institute Screening Program Data Summary, Developmental Therapeutics Program. (Bethesda, MD 20205) Volume(issue)/page/year: JAN1986

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