[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
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![[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 structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/7611324ae0de469e8027e1fde91684ef.png "[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")
[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
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CAS No:
195612-80-7
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Formula:
C30H32FNO13
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Chemical 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
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Synonyms:
7-O-(2,6-Dideoxy-2-fluoro-alpha-talopyranosyl)adriamycinone- 14-beta-alaniate hydrochloride;beta-Alanine, 2-(4-((2,6-dideoxy-2-fluoro-alpha-L-talopyranosyl)oxy)-1,2,3,4,6,11-hexahydro-2,5,12-trihydroxy-7-methoxy-6,11-dioxo-2-naphthacenyl)-2-oxoethyl ester, hydrochloride, (2S-cis)-;DA 125;DA-125;Galarubicin;UNII-6F39648E92;6F39648E92;DA-125;CHEMBL2106451;ZINC3945596;[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;Q27264788;(8S,10S)-10-[(2-Fluoro-2,6-dideoxy-alpha-L-talopyranosyl)oxy]-7,8,9,10-tetrahydro-6,8,11-trihydroxy-8-[(3-aminopropionyloxy)acetyl]-1-methoxynaphthacene-5,12-dione;195612-80-7
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CAS No:
Description
Galarubicin is an anthracycline derivative with antineoplastic activity developed to circumvent doxorubicin resistance.
[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 Basic Attributes
633.6 g/mol
633.18576824 g/mol
6F39648E92
C81422
Drug Information
7-O-(2,6-Dideoxy-2-fluoro-alpha-talopyranosyl)adriamycinone- 14-beta-alaniate hydrochloride
Computed Properties
Molecular Weight:633.6
XLogP3:0.6
Hydrogen Bond Donor Count:6
Hydrogen Bond Acceptor Count:15
Rotatable Bond Count:9
Exact Mass:633.18576824
Monoisotopic Mass:633.18576824
Topological Polar Surface Area:232
Heavy Atom Count:45
Complexity:1160
Defined Atom Stereocenter Count:7
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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