Nemorubicin
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Nemorubicin
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CAS No:
108852-90-0
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Formula:
C32H37NO13
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Chemical Name:
Nemorubicin
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Synonyms:
5,12-Naphthacenedione,7,8,9,10-tetrahydro-6,8,11-trihydroxy-8-(2-hydroxyacetyl)-1-methoxy-10-[[2,3,6-trideoxy-3-[(2S)-2-methoxy-4-morpholinyl]-α-L-lyxo-hexopyranosyl]oxy]-,(8S,10S)-;5,12-Naphthacenedione,7,8,9,10-tetrahydro-6,8,11-trihydroxy-8-(hydroxyacetyl)-1-methoxy-10-[[2,3,6-trideoxy-3-(2-methoxy-4-morpholinyl)-α-L-lyxo-hexopyranosyl]oxy]-,[8S-[8α,10α(R*)]]-;5,12-Naphthacenedione,7,8,9,10-tetrahydro-6,8,11-trihydroxy-8-(hydroxyacetyl)-1-methoxy-10-[[2,3,6-trideoxy-3-[(2S)-2-methoxy-4-morpholinyl]-α-L-lyxo-hexopyranosyl]oxy]-,(8S,10S)-;(8S,10S)-7,8,9,10-Tetrahydro-6,8,11-trihydroxy-8-(2-hydroxyacetyl)-1-methoxy-10-[[2,3,6-trideoxy-3-[(2S)-2-methoxy-4-morpholinyl]-α-L-lyxo-hexopyranosyl]oxy]-5,12-naphthacenedione;FCE 23762;(1S,3S)-3-Glycoloyl-1,2,3,4,6,11-hexahydro-3,5,12-trihydroxy-10-methoxy-6,11-dioxo-1-naphthacenyl 2,3,6-trideoxy-3-[(S)-2-methoxymorpholino]-α-L-lyxo-hexopyranoside;Nemorubicin;DMM Dox;PNU 152243;MMRDX;Methoxymorpholinyldoxorubicin;136520-71-3;160398-83-4
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CAS No:
Description
Nemorubicin is a member of morpholines, an anthracycline antibiotic, a primary alpha-hydroxy ketone and a tertiary alpha-hydroxy ketone. It derives from a doxorubicin.|Nemorubicin is a morpholinyl analogue of the anthracycline doxorubicin with antineoplastic activity. Nemorubicin is metabolized via the P450 CYP3A enzyme to a highly cytotoxic derivative. Unlike most anthracyclines, nemorubicin is a topoisomerase I inhibitor and appears to exert its effect through the nucleotide excision repair (NER) system. In addition, this agent does not show cross-resistance with other anthracyclines.
Safety Information
|Warning|H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]|P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501|The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Computed Properties
Molecular Weight:643.6
XLogP3:1.7
Hydrogen Bond Donor Count:5
Hydrogen Bond Acceptor Count:14
Rotatable Bond Count:7
Exact Mass:643.22649023
Monoisotopic Mass:643.22649023
Topological Polar Surface Area:202
Heavy Atom Count:46
Complexity:1160
Defined Atom Stereocenter Count:7
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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