Small Molecule doxorubicinol

URN	urn:agi-cas:54193-28-1
Total Entities	4
Connectivity	42
Name	doxorubicinol

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ChildConcepts	oxaunomycin
	iremycin
	cosmomycin C
	Nocardicyclin A

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Pathway	doxorubicin pharmacokinetics pathway

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Alias	RP 27706
	(8S-(8-alpha,8(R*),10-alpha))-7,8,9,10-tetrahydro-10-((3-amino-2,3,6-trideoxy-alpha-L-lyxo-hexopyranosyl)oxy)-8-(1,2-dihydroxyethyl)-1-methoxy-6,8,11-trihydroxy-5,12-Naphthacenedione
	(8S,10S)-10-((3-amino-2,3,6-trideoxy-alpha-L-lyxo-hexopyranosyl)oxy)-8-((1S)-1,2-dihydroxyethyl)-7,8,9,10-tetrahydro-6,8,11-trihydroxy-1-methoxy-5,12-Naphthacenedione
	54193-28-1
	Adriamycinol
	Antibiotic 27706RP
	13-Dihydrodoxorubicin
	Doxorubicinol
	13-dihydroxorubicin

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MedScan ID	1246180

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HMDB ID	HMDB41884

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CAS ID	111955-90-9
	276880-88-7
	39004-85-8
	54193-28-1

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PubChem SID	135041242

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PubChem CID	83970

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IUPAC Name	(7S,9S)-7-[(2R,4S,5S,6S)-4-amino-5-hydroxy-6-methyl-tetrahydropyran-2-yl]oxy-9-[(1S)-1,2-dihydroxyethyl]-6,9,11-trihydroxy-4-methoxy-8,10-dihydro-7H-tetracene-5,12-quinone

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InChIKey	NKZRZOVSJNSBFR-FEMMEMONSA-N

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Rotatable Bond Count	5

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Molecular Weight	545.535140

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Molecular Formula	C27H31NO11

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XLogP	1.300000

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Reaxys ID	1445678
	1445679
	6773847

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LinkUrl	http://pubchem.ncbi.nlm.nih.gov/compound/83970#section=Top

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