2-((3-(4-Acetaminophenoxy)propyl)amino)-1,4:3,6-dianhydro-2-deoxy-L-id itol 5-nitrate HCl H2O

Modify Date: 2025-09-30 12:02:21

2-((3-(4-Acetaminophenoxy)propyl)amino)-1,4:3,6-dianhydro-2-deoxy-L-id itol 5-nitrate HCl H2O structure	Common Name	2-((3-(4-Acetaminophenoxy)propyl)amino)-1,4:3,6-dianhydro-2-deoxy-L-id itol 5-nitrate HCl H2O
	CAS Number	81785-52-6	Molecular Weight	417.84100
	Density	N/A	Boiling Point	627.3ºC at 760 mmHg
	Molecular Formula	C₁₇H₂₄ClN₃O₇	Melting Point	N/A
	MSDS	N/A	Flash Point	333.2ºC

Name	[(3S,3aR,6S,6aS)-3-[3-(4-acetamidophenoxy)propylamino]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl] nitrate,hydrochloride

Boiling Point	627.3ºC at 760 mmHg
Molecular Formula	C₁₇H₂₄ClN₃O₇
Molecular Weight	417.84100
Flash Point	333.2ºC
Exact Mass	417.13000
PSA	127.36000
LogP	3.11220
InChIKey	MTHNQKKUQMIRLB-LOPIXSETSA-N
SMILES	CC(=O)Nc1ccc(OCCCNC2COC3C(O[N+](=O)[O-])COC23)cc1.Cl

CHEMICAL IDENTIFICATION

RTECS NUMBER :: NH8422248

CAS REGISTRY NUMBER :: 81785-52-6

LAST UPDATED :: 199703

DATA ITEMS CITED :: 1

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

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

ROUTE OF EXPOSURE :: Intravenous

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: >200 mg/kg

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

REFERENCE :: EPXXDW European Patent Application. (U.S. Patent and Trademark Office, Foreign Patents, Washington, DC 20231) Volume(issue)/page/year: #0044940

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