[2-[(2S,4S)-4-[(2R,3R,4R,5S,6S)-3-fluoro-4,5-dihydroxy-6-methyloxan-2-yl]oxy-2,5,12-trihydroxy-7-methoxy-6,11-dioxo-3,4-dihydro-1H-tetracen-2-yl]-2-oxoethyl] 3-aminopropanoate,hydrochloride

Modify Date: 2025-08-27 17:33:05

[2-[(2S,4S)-4-[(2R,3R,4R,5S,6S)-3-fluoro-4,5-dihydroxy-6-methyloxan-2-yl]oxy-2,5,12-trihydroxy-7-methoxy-6,11-dioxo-3,4-dihydro-1H-tetracen-2-yl]-2-oxoethyl] 3-aminopropanoate,hydrochloride structure	Common Name	[2-[(2S,4S)-4-[(2R,3R,4R,5S,6S)-3-fluoro-4,5-dihydroxy-6-methyloxan-2-yl]oxy-2,5,12-trihydroxy-7-methoxy-6,11-dioxo-3,4-dihydro-1H-tetracen-2-yl]-2-oxoethyl] 3-aminopropanoate,hydrochloride
	CAS Number	140637-82-7	Molecular Weight	670.03300
	Density	N/A	Boiling Point	864.9ºC at 760mmHg
	Molecular Formula	C₃₀H₃₃ClFNO₁₃	Melting Point	N/A
	MSDS	N/A	Flash Point	476.9ºC

Name	[2-[(2S,4S)-4-[(2R,3R,4R,5S,6S)-3-fluoro-4,5-dihydroxy-6-methyloxan-2-yl]oxy-2,5,12-trihydroxy-7-methoxy-6,11-dioxo-3,4-dihydro-1H-tetracen-2-yl]-2-oxoethyl] 3-aminopropanoate,hydrochloride

Boiling Point	864.9ºC at 760mmHg
Molecular Formula	C₃₀H₃₃ClFNO₁₃
Molecular Weight	670.03300
Flash Point	476.9ºC
Exact Mass	669.16200
PSA	232.37000
LogP	1.38490
Vapour Pressure	6.38E-32mmHg at 25°C
InChIKey	PISPJMVXLMWWNB-ZZBYHBTRSA-N
SMILES	COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)CC(O)(C(=O)COC(=O)CCN)CC3OC1OC(C)C(O)C(O)C1F.Cl

CHEMICAL IDENTIFICATION

RTECS NUMBER :: AY5075420

CHEMICAL NAME :: beta-Alanine, 2-(4-((2,6-dideoxy-2-fluoro-alpha-L-talopyranosyl)oxy )-1,2,3,4,6,11-hexahy dro- 2,5,12-trihydroxy-7-methoxy-6,11-dioxo-2-naphthacenyl )-2-oxoethyl ester, hydrochloride, (2S-cis)-

CAS REGISTRY NUMBER :: 140637-82-7

LAST UPDATED :: 199801

DATA ITEMS CITED :: 1

MOLECULAR FORMULA :: C30-H32-F-N-O13.Cl-H

MOLECULAR WEIGHT :: 670.09

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :: TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :: Intravenous

DOSE :: 11 mg/kg

SEX/DURATION :: female 7-17 day(s) after conception

TOXIC EFFECTS :: Reproductive - Maternal Effects - other effects Reproductive - Effects on Embryo or Fetus - fetotoxicity (except death, e.g., stunted fetus) Reproductive - Specific Developmental Abnormalities - other developmental abnormalities

REFERENCE :: REPTED Reproductive Toxicology. (Pergamon Press Inc., Maxwell House, Fairview Park, Elmsford, NY 10523) V.1- 1987- Volume(issue)/page/year: 9,159,1995

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