aklavinone
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Basic information
- CAS
16234-96-1- Standard SMILES
CC[C@@]1(O)C[C@H](O)c2c(cc3c(c2O)C(=O)c2c(O)cccc2C3=O)[C@H]1C(=O)OC- InChIKey
RACGRCLGVYXIAO-YOKWENHESA-N- Molecular formula
- C22H20O8
- Average molar mass
- 412.39 g/mol
Names & identifiers
- Preferred name
- aklavinone
- English name
- aklavinone
- Molecular formula
- C22H20O8
- Molecular weight
- 412.39
Names & synonyms
NSC114780NSC-114780NSC 114780Aclavinoneaklavinone(±)-2-Ethyl-1,2,3,4,6,11-hexahydro-2,4,5,7-tetrahydroxy-6,11-dioxo-1-naphthacenecarboxylic acid methyl ester(1R,2R,4S)-2-Ethyl-1,2,3,4,6,11-hexahydro-2,4,5,7-tetrahydroxy-6,11-dioxo-1-naphthacenecarboxylic acid methyl ester1-Naphthacenecarboxylic acid, 2-ethyl-1,2,3,4,6,11-hexahydro-2,4,5,7-tetrahydroxy-6,11-dioxo-, methyl ester, (1R,2R,4S)-
Database identifiers
- CAS
16234-96-1- PubChem CID
- 159776
- ChEBI
CHEBI:31181- UNII
- J8NH9FR49N
- Nikkaji
- J14.493B
Properties
Physicochemical properties
- Boiling point
- 663.5 · 663.5±55.0 °C(Predicted)
- Density
- 1.525 · 1.525±0.06 g/cm3(Predicted)
- pka
- 6.5 · 6.50±0.70(Predicted)
- FDA UNII
- 8 NH9FR49N · J8NH9FR49N
Chemistry & industry
Upstream & downstream products
Downstream products
Additional notes
DefinitionChEBI: Aklavinone is an anthracycline, a member of tetracenequinones, a methyl ester and a tertiary alcohol. It has a role as an antineoplastic agent.
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Compound notes
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