(4S,4aS,5aS,6S,12aS)-7-Chloro-4-(dimethylamino)-3,6,10,12,12a-pentahydroxy-1,11-dioxo-1,4,4a,5,5a,6,11,12a-octahydro-2-tetracenecarboxamide hydrochloride (1:1)

Basic Information

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CAS Number

64-73-3

Molecular Formula

C21H22Cl2N2O8

Molecular Weight

501.32 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

>245°C (dec.)

Boiling Point

795.9°C at 760 mmHg

Water Solubility

Soluble in water.

Flash Point

435.2 °C

Solubility

H2O: 20 mg/mL, clear, very deep greenish yellow

SMILES

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CN(C)C1C2CC3C(C4=C(C=CC(=C4C(=C3C(=O)C2(C(=C(C1=O)C(=O)N)O)O)O)O)Cl)O.Cl

InChI

InChI=1S/C21H21ClN2O8.ClH/c1-24(2)14-7-5-6-10(16(27)12-9(25)4-3-8(22)11(12)15(6)26)18(29)21(7,32)19(30)13(17(14)28)20(23)31;/h3-4,6-7,14-15,25-26,28-29,32H,5H2,1-2H3,(H2,23,31);1H/t6-,7-,14-,15-,21-;/m0./s1

InChIKey

GVSJQNRGSCOSNJ-KBHRXELFSA-N

LogP

0.6867000000000001

Topological Polar Surface Area

181.62 Å²

Hydrogen Bond Donor/Acceptor

7 / 10

Complexity

961

Safety Information

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GHS Hazard Pictograms

H317

Hazard Statement

H317 May cause an allergic skin reaction
Sensitization, Skin

Toxicity

LD50 orally in rats: 2372 mg/kg (Goldenthal)

Synonyms & References

English

DEMECLOCYCLINE HYDROCHLORIDE [VANDF]
HY-17560
MLS001333687
Demethylchlortetracycline hydrochloride
Demeclocycline hydrochloride (USP)
LP00421
2-Naphthacenecarboxamide, 7-chloro-4-(dimethylamino)-1,4,4a,5,5a,6,11,12a-octahydro-3,6,10,12,12a-pentahydroxy-1,11-dioxo-, monohydrochloride
SR-01000075825-5
CAS-64-73-3
Demeclocycline HCl, Pharmaceutical Secondary Standard; Certified Reference Material
HMS1570G08
2-Naphthacenecarboxamide, 7-chloro-4-(dimethylamino)-4,4a,5,5a,6,11,12a-octahydro-3,6,10,12,12a-pentahydroxy-1,11-dioxo-, hydrochloride (1:1), (4S,4aS,5aS,6S,12aS)-
SMR000058439
PD087081
EN300-7480863
Demeclocycline HCL
DEMECLOCYCLINE HYDROCHLORIDE [MART.]
Ledermycin hydrochloride
Demeclocycline hydrochloride, Antibiotic for Culture Media Use Only
MLS000028422
C21H21ClN2O8.HCl
Demeclocycline hydrochloride (internal use)
64-73-3
2-Naphthacenecarboxamide, 7-chloro-4-(dimethylamino)-1,4,4a,5,5a,6,11,12a-octahydro-3,6,10,12,12a-pentahydroxy-1,11-dioxo-, [4S-(4.alpha.,4a.alpha.,5a.alpha.,6.beta.,12a.alpha.)]-
Clortetrin
6-Demethyl-7-chlorotetracycline hydrochloride
Declomycin (TN)
NSC756708
LS-93856
Demeclocycline hydrochloride [USAN:BAN]
Demeclocycline hydrochloride, >=90% (HPLC), powder

MDL Number

MFCD00082371

FAQ

What is (4S,4aS,5aS,6S,12aS)-7-Chloro-4-(dimethylamino)-3,6,10,12,12a-pentahydroxy-1,11-dioxo-1,4,4a,5,5a,6,11,12a-octahydro-2-tetracenecarboxamide hydrochloride (CAS: 64-73-3)?

This compound is a chlorinated, nitrogen-containing organic molecule with a unique tetracene-based structure. It features a chloro group, dimethylamino group, and multiple hydroxyl and oxygenated functional groups. This complex structure makes it suitable for various applications in research and pharmaceutical development.

What are the main uses of (4S,4aS,5aS,6S,12aS)-7-Chloro-4-(dimethylamino)-3,6,10,12,12a-pentahydroxy-1,11-dioxo-1,4,4a,5,5a,6,11,12a-octahydro-2-tetracenecarboxamide hydrochloride (CAS: 64-73-3)?

This compound is primarily used in pharmaceutical research as a precursor or intermediate in the synthesis of other compounds. It may also be used in materials science for its unique tetracene-based structure, which could have applications in organic electronics or photovoltaics.

Is (4S,4aS,5aS,6S,12aS)-7-Chloro-4-(dimethylamino)-3,6,10,12,12a-pentahydroxy-1,11-dioxo-1,4,4a,5,5a,6,11,12a-octahydro-2-tetracenecarboxamide hydrochloride (CAS: 64-73-3) safe?

The safety of this compound is dependent on proper handling. It is not considered toxic, but it should be handled with care due to its chemical complexity. Protective equipment such as gloves, goggles, and a lab coat is recommended. Store in a cool, dry place away from direct sunlight and heat sources. Follow all safety guidelines and regulations.

How should (4S,4aS,5aS,6S,12aS)-7-Chloro-4-(dimethylamino)-3,6,10,12,12a-pentahydroxy-1,11-dioxo-1,4,4a,5,5a,6,11,12a-octahydro-2-tetracenecarboxamide hydrochloride (CAS: 64-73-3) be stored?

This compound should be stored in a tightly sealed container in a cool, dry place, away from direct sunlight and heat sources. Optimal storage conditions are between 15°C and 25°C. Keep away from moisture and humidity to ensure stability. Handle with care to prevent contamination and ensure proper labeling of the storage container.