5,12-Naphthacenedione, 10-[(3-amino-2,3,6-trideoxy-β-L-arabino-hexopyranosyl)oxy]-7,8,9,10-tetrahydro-6,8,11-trihydroxy-8-(hydroxyacetyl)-1-methoxy-, hydrochloride, (8S-cis)- (9CI)
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![5,12-Naphthacenedione, 10-[(3-amino-2,3,6-trideoxy-β-L-arabino-hexopyranosyl)oxy]-7,8,9,10-tetrahydro-6,8,11-trihydroxy-8-(hydroxyacetyl)-1-methoxy-, hydrochloride, (8S-cis)- (9CI) structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/5691670e1e33466a943af17ecac519e4.png "5,12-Naphthacenedione, 10-[(3-amino-2,3,6-trideoxy-β-L-arabino-hexopyranosyl)oxy]-7,8,9,10-tetrahydro-6,8,11-trihydroxy-8-(hydroxyacetyl)-1-methoxy-, hydrochloride, (8S-cis)- (9CI)")
5,12-Naphthacenedione, 10-[(3-amino-2,3,6-trideoxy-β-L-arabino-hexopyranosyl)oxy]-7,8,9,10-tetrahydro-6,8,11-trihydroxy-8-(hydroxyacetyl)-1-methoxy-, hydrochloride, (8S-cis)- (9CI)
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CAS No:
57819-80-4
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Formula:
C27H30ClNO11
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Chemical Name:
5,12-Naphthacenedione, 10-[(3-amino-2,3,6-trideoxy-β-L-arabino-hexopyranosyl)oxy]-7,8,9,10-tetrahydro-6,8,11-trihydroxy-8-(hydroxyacetyl)-1-methoxy-, hydrochloride, (8S-cis)- (9CI)
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Synonyms:
5,12-Naphthacenedione, 10-[(3-amino-2,3,6-trideoxy-β-L-arabino-hexopyranosyl)oxy]-7,8,9,10-tetrahydro-6,8,11-trihydroxy-8-(hydroxyacetyl)-1-methoxy-, hydrochloride, (8S-cis)- (9CI)
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CAS No:
Description
An anthracycline which is the 4'-epi-isomer of doxorubicin. The compound exerts its antitumor effects by interference with the synthesis and function of DNA.
5,12-Naphthacenedione, 10-[(3-amino-2,3,6-trideoxy-β-L-arabino-hexopyranosyl)oxy]-7,8,9,10-tetrahydro-6,8,11-trihydroxy-8-(hydroxyacetyl)-1-methoxy-, hydrochloride, (8S-cis)- (9CI) Basic Attributes
579.98
579.1507385 g/mol
Safety Information
|Danger|H302 (99.21%): Harmful if swallowed [Warning Acute toxicity, oral]|P201, P202, P264, P270, P281, P301+P312, P308+P313, P330, P405, and P501|Aggregated GHS information provided by 127 companies from 9 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Drug Information
Chemical substances, produced by microorganisms, inhibiting or preventing the proliferation of neoplasms. (See all compounds classified as Antibiotics, Antineoplastic.)|Compounds that inhibit the activity of DNA TOPOISOMERASE II. Included in this category are a variety of ANTINEOPLASTIC AGENTS which target the eukaryotic form of topoisomerase II and ANTIBACTERIAL AGENTS which target the prokaryotic form of topoisomerase II. (See all compounds classified as Topoisomerase II Inhibitors.)
4' Epi Adriamycin
Computed Properties
Molecular Weight:580.0
Hydrogen Bond Donor Count:7
Hydrogen Bond Acceptor Count:12
Rotatable Bond Count:5
Exact Mass:579.1507385
Monoisotopic Mass:579.1507385
Topological Polar Surface Area:206
Heavy Atom Count:40
Complexity:977
Defined Atom Stereocenter Count:6
Covalently-Bonded Unit Count:2
Compound Is Canonicalized:Yes
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