(4S,4aR,5S,5aR,6S,12aS)-4-(Dimethylamino)-3,5,6,10,12,12a-hexahydroxy-6-methyl-1,11-dioxo-1,4,4a,5,5a,6,11,12a-octahydro-2-tetracenecarboxamide dihydrochloride

Basic Information

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CAS Number

2058-46-0

Molecular Formula

C22H26Cl2N2O9

Molecular Weight

496.9 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 Amines

Fine Chemicals Dyes and Pigments Organic Dyes

Fine Chemicals Surfactants Anionic Surfactants

Agricultural Chemicals Pesticides Herbicides

Basic Physical Properties

Melting Point

180 ºC

Boiling Point

839.6 °C at 760 mmHg

Density

1.7100

Water Solubility

>100 g/L

Flash Point

461.6 °C

Solubility

Soluble in ethanol

Specific Rotation

-190° - -200° (c=1, 0.1N HCl)

SMILES

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Cl.CN(C)[C@H]1[C@@H]2[C@@H](O)[C@H]3C(=C(O)[C@]2(O)C(=O)C(=C1O)C(=O)N)C(=O)c4c(O)cccc4[C@@]3(C)O

InChI

InChI=1S/C22H24N2O9.2ClH/c1-21(32)7-5-4-6-8(25)9(7)15(26)10-12(21)17(28)13-14(24(2)3)16(27)11(20(23)31)19(30)22(13,33)18(10)29;;/h4-6,12-14,17,25,27-29,32-33H,1-3H3,(H2,23,31);2*1H/t12-,13-,14+,17+,21-,22+;;/m1../s1

InChIKey

HPQZHJVQGQLQOV-JEKSYDDFSA-N

LogP

-0.8217999999999983

Topological Polar Surface Area

201.85 Å²

Hydrogen Bond Donor/Acceptor

8 / 11

Complexity

1000

Safety Information

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Hazard Statement

H361 Suspected of damaging fertility or the unborn child
Reproductive toxicity

H410 Very toxic to aquatic life with long lasting effects
Hazardous to the aquatic environment, long-term hazard

Hazard Class

Class 9 Class 9

Sensitiveness

Light Sensitive

Synonyms & References

English

Oxytetracycline HCL
oxytetracycline hydrochloride
(4s-(4alpha,4aalpha,5alpha,5aalpha,6beta,12aalpha))-4-(dimethylamino)-1,4,4a,5,5a,6,11,12a-octahydro-3,5,6,10,12,12a-hexahydroxy-6-methyl-1,11-dioxo-2-naphthacenecarboxamide monohydrochloride
Oxytetracycline Hydr
Oxytetracycline Hydrochloride DISCONTINUED. See O877501
OXYTETRACYCLINE HYDROCHLORIDE, YELLOW CRYSTALS
(4S,4aR,5S,5aR,6S,12aS)-4-(dimethylamino)-1,4,4a,5,5a,6,11,12a-octahydro-3,5,6,10,12,12a-hexahydroxy-6-methyl-1,11-dioxo-2-naphthacenecarboxamide hydrochloride (1:1)
(4S,4aR,5S,5aR,6S,12aS)-4-dimethylamino-1,4,4a,5,5a,6,11,12a-octahydro-3,5,6,10,12,12a-hexahydroxy-6-methyl-1,11-dioxonaphthacene-2-carboxamide hydrochloride
2-Octanone
engemycin
GEOMYCIN
mepatar
oxlopar
Oxycline
oxytetracyclin hydrochloride
Oxytetracycline hydrochloride, can be used as secondary standard'
terramycin hydrochloride
TOXINAL
[4S-(4alpha,4aalpha,5alpha,5aalpha,6beta,12aalpha)]-4-(Dimethylamino)-1,4,4a,5,5a,6,11,12a-octahydro-3,5,6,10,12,12a-hexahydroxy-6-methyl-1,11-dioxo-2-naphthacenec
[4S-(4alpha,4aalpha,5alpha,5aalpha,6beta,12aalpha)]-4-(Dimethylamino)-1,4,4a,5,5a,6,11,12a-octahydro-3,5,6,10,12,12a-hexahydroxy-6-methyl-1,11-dioxo-2-naphthacenecarboxamide monohydrochloride
5-Hydroxytetracycline hydrochloride
Oxyteracycline HCL
oxytetracycline
Terramycin
Oxytetracyclin
Oxitetraciclina
Terrafungine
Oxymycin
Oxyterracine
Oxytetracyclinum
Oxitetracyclin

MDL Number

MFCD00135815

Customs Code

29413000

FAQ

What is [compound name] (CAS: 2058-46-0)?

It is a complex organic compound with the chemical formula C21H27Cl2N3O6. The compound features multiple hydroxyl groups, a dimethylamino group, and a tetracene core, making it a derivative of tetracenecarboxamide. It is known for its potential biological activity and is commonly used in scientific research.

What are the main uses of [compound name] (CAS: 2058-46-0)?

It is primarily used in pharmaceutical research for its potential as a drug candidate, particularly in the development of antifungal and anti-inflammatory agents. It may also find applications in chemical synthesis and as a research reagent for studying molecular interactions and biological processes.

Is [compound name] (CAS: 2058-46-0) safe?

The safety of this compound depends on its application and exposure conditions. It is generally considered safe when handled properly in controlled laboratory environments. However, it is important to follow standard safety protocols, including the use of personal protective equipment, to minimize risks associated with its chemical properties.

How should [compound name] (CAS: 2058-46-0) be stored?

It should be stored in a cool, dry, and well-ventilated area, away from light and moisture. The compound is typically kept in sealed containers to prevent degradation. It is also advisable to store it under inert gas conditions to maintain stability and prolong shelf life.