(1S,3S)-3-Acetyl-3,5,12-trihydroxy-6,11-dioxo-1,2,3,4,6,11-hexahydro-1-tetracenyl 3-amino-2,3,6-trideoxy-alpha-L-lyxo-hexopyranoside

Basic Information

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CAS Number

58957-92-9

Molecular Formula

C26H27NO9

Molecular Weight

497.5 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Ketones

Basic Chemical Raw Materials Organic Chemicals Ethers

Basic Chemical Raw Materials Organic Chemicals Amines

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Fine Chemicals Dyes and Pigments Organic Dyes

Fine Chemicals Surfactants Anionic Surfactants

Laboratory Chemicals Research Chemicals Biochemical Reagents

Basic Physical Properties

Boiling Point

725.435℃ at 760 mmHg

Density

1.3477 (rough estimate)

Refractive Index

1.6000 (estimate)

SMILES

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CC1C(C(CC(O1)OC2CC(CC3=C2C(=C4C(=C3O)C(=O)C5=CC=CC=C5C4=O)O)(C(=O)C)O)N)O

InChI

InChI=1S/C26H27NO9/c1-10-21(29)15(27)7-17(35-10)36-16-9-26(34,11(2)28)8-14-18(16)25(33)20-19(24(14)32)22(30)12-5-3-4-6-13(12)23(20)31/h3-6,10,15-17,21,29,32-34H,7-9,27H2,1-2H3/t10-,15-,16-,17-,21+,26-/m0/s1

InChIKey

XDXDZDZNSLXDNA-TZNDIEGXSA-N

LogP

1.020299999999999

Topological Polar Surface Area

176.60999999999999 Å²

Hydrogen Bond Donor/Acceptor

6 / 10

Complexity

912

Safety Information

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Hazard Statement

H300 Fatal if swallowed
Acute toxicity, oral

H351 Suspected of causing cancer
Carcinogenicity

H360 May damage fertility or the unborn child
Reproductive toxicity

Hazard Class

Class 6.1 Class 6.1

Synonyms & References

English

MLS001401448
D08062
IDARUBICIN [WHO-DD]
UNII-ZRP63D75JW
NCGC00093976-04
4-DMDR
A935911
BRD-K69650333-001-02-9
BDBM58490
AB00698511-06
(7S,9S)-9-Acetyl-7-(((2R,4S,5S,6S)-4-amino-5-hydroxy-6-methyltetrahydro-2H-pyran-2-yl)oxy)-6,9,11-trihydroxy-7,8,9,10-tetrahydrotetracene-5,12-dione
Daunomycin, 4-demethoxy-
CCRIS 5083
Idarubicine (INN-French)
XDXDZDZNSLXDNA-TZNDIEGXSA-N
LP00600
5,12-NAPHTHACENEDIONE, 9-ACETYL-7-((3-AMINO-2,3,6-TRIDEOXY-.ALPHA.-L-LYXO-HEXOPYRANOSYL)OXY)-7,8,9,10-TETRAHYDRO-6,9,11-TRIHYDROXY-, (7S,9S)-
(1S,3S)-3-acetyl-3,5,12-trihydroxy-6,11-dioxo-1,2,3,4,6,11-hexahydronaphthacen-1-yl 3-amino-2,3,6-trideoxy-alpha-L-lyxo-hexopyranoside
(1S,3S)-3-acetyl-3,5,12-trihydroxy-6,11-dioxo-1,2,3,4,6,11-hexahydrotetracen-1-yl 3-amino-2,3,6-trideoxy-alpha-L-lyxo-hexopyranoside
4-Demethoxydaunorubicin
Zavedos (TN)
AB00698511-09
NCGC00093976-05
HMS2089D05
SR-01000075934
Idarubicina [INN-Spanish]
4 Demethoxydaunorubicin
(7S,9S)-9-acetyl-7-[(2R,4S,5S,6S)-4-amino-5-hydroxy-6-methyloxan-2-yl]oxy-6,9,11-trihydroxy-8,10-dihydro-7H-tetracene-5,12-dione;hydrochloride
Idarubicine
Idarubicin hydrochloride, solid
Idarubicin [INN:BAN]

MDL Number

MFCD00866457

FAQ

What is (1S,3S)-3-Acetyl-3,5,12-trihydroxy-6,11-dioxo-1,2,3,4,6,11-hexahydro-1-tetracenyl 3-amino-2,3,6-trideoxy-alpha-L-lyxo-hexopyranoside (CAS: 58957-92-9)?

This compound is a complex organic molecule with a unique structure. It contains multiple functional groups such as hydroxyls and a ketone. This chemical is primarily used in specialized research and pharmaceutical applications due to its specific properties.

What are the main uses of (1S,3S)-3-Acetyl-3,5,12-trihydroxy-6,11-dioxo-1,2,3,4,6,11-hexahydro-1-tetracenyl 3-amino-2,3,6-trideoxy-alpha-L-lyxo-hexopyranoside (CAS: 58957-92-9)?

This compound is mainly used in research related to organic synthesis and as a potential pharmaceutical intermediate due to its unique chemical structure and functional groups.

Is (1S,3S)-3-Acetyl-3,5,12-trihydroxy-6,11-dioxo-1,2,3,4,6,11-hexahydro-1-tetracenyl 3-amino-2,3,6-trideoxy-alpha-L-lyxo-hexopyranoside (CAS: 58957-92-9) safe?

This compound is safe when handled with appropriate precautions. It should be stored in a cool, dry place away from direct sunlight and heat sources. Suitable protective equipment should be used when working with this chemical.

How should (1S,3S)-3-Acetyl-3,5,12-trihydroxy-6,11-dioxo-1,2,3,4,6,11-hexahydro-1-tetracenyl 3-amino-2,3,6-trideoxy-alpha-L-lyxo-hexopyranoside (CAS: 58957-92-9) be stored?

This compound should be stored in a cool, dry place, protected from light and heat. It should be kept in a tightly sealed container to prevent degradation. It is also important to ensure that the storage area is well-ventilated.