(4S,4aS,5aS,6S,12aS)-7-Chloro-4-(dimethylamino)-3,6,10,12,12a-pentahydroxy-6-methyl-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

64-72-2

Molecular Formula

C22H24Cl2N2O8

Molecular Weight

515.35 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

242-247°C

Boiling Point

694.1°C at 760 mmHg

Density

1.1770

Water Solubility

Soluble in water

Flash Point

210

Solubility

1 M NaOH: soluble50mg/mL

Specific Rotation

-235° to -250° (c=0.1, H2O)

SMILES

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CC1(C2CC3C(C(=O)C(=C(C3(C(=O)C2=C(C4=C(C=CC(=C41)Cl)O)O)O)O)C(=O)N)N(C)C)O.Cl

InChI

InChI=1S/C22H23ClN2O8.ClH/c1-21(32)7-6-8-15(25(2)3)17(28)13(20(24)31)19(30)22(8,33)18(29)11(7)16(27)12-10(26)5-4-9(23)14(12)21;/h4-5,7-8,15,26,28-29,32-33H,6H2,1-3H3,(H2,24,31);1H/t7-,8-,15-,21-,22-;/m0./s1

InChIKey

CBHYYLPALVVVEY-MRFRVZCGSA-N

LogP

0.8608

pKa

3.3(at 25℃)

Topological Polar Surface Area

181.61999999999998 Å²

Hydrogen Bond Donor/Acceptor

7 / 10

Complexity

1010

Safety Information

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GHS Hazard Pictograms

H315

H319

H335

Hazard Statement

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

H335 May cause respiratory irritation
Specific target organ toxicity, single exposure; Respiratory tract irritation

Hazard Class

Class 3 Class 3

Sensitiveness

Light Sensitive

Toxicity

LD50 orally in rats: 10300 mg/kg (Goldenthal)

Synonyms & References

English

Aureocarmyl
Aureomycin hydrochloride
2-Naphthacenecarboxamide, 7-chloro-4-(dimethylamino)-1,4,4a,5,5a,6,11,12a-octahydro-3,6,10,12,12a-pentahydroxy-6-methyl-1,11-dioxo-, monohydrochloride (4S-(4alpha,4aalpha,5aalpha,6beta,12aalpha))-
Alexomycin [USAN]
CHLORTETRACYCLINI HYDROCHLORIDUM [WHO-IP LATIN]
2-Naphthacenecarboxamide, 7-chloro-4-(dimethylamino)-1,4,4a,5,5a,6,11,12a-octahydro-3,6,10,12,12a-pentahydroxy-6-methyl-1,11-dioxo-, monohydrochloride, (4S,4aS,5aS,6S,12aS)-
DTXSID2045076
Chlorotetracycline hydrochloride
CHLORTETRACYCLINE HYDROCHLORIDE [USP MONOGRAPH]
Biomitsin hydrochloride
HY-B1327
Chlortetracycline Monohydrochloride
AUREOMYCIN
CCG-39737
Chlortetracycline hydrochloride [USP:BAN]
Chlortetracycline hydrochloride
Chlortetracycline, monohydrochloride
CLTC
Isphamycin
NSC13252
CHLORTETRACYCLINE HYDROCHLORIDE [JAN]
Chlortetracycline HCl
NSC-13252
UNII-SL2PE81977
SR-05000001588
3671-08-7
Chlortetracycline hydrochloride [USAN:BAN]
C3458
O1GX33ON8R
D02255
Clorocipan

MDL Number

MFCD00082440

FAQ

What is (4S,4aS,5aS,6S,12aS)-7-Chloro-4-(dimethylamino)-3,6,10,12,12a-pentahydroxy-6-methyl-1,11-dioxo-1,4,4a,5,5a,6,11,12a-octahydro-2-tetracenecarboxamide hydrochloride (1:1) (CAS: 64-72-2)?

This compound, with the CAS number 64-72-2, is a complex organic molecule containing multiple hydroxyl, amino, and chloro groups. It is a hydrochloride salt of a tetracene derivative and is known for its structural complexity and potential biological activity. The compound exhibits solubility in water and is commonly used in specialized chemical applications due to its unique functional groups and molecular framework.

What are the main uses of (4S,4aS,5aS,6S,12aS)-7-Chloro-4-(dimethylamino)-3,6,10,12,12a-pentahydroxy-6-methyl-1,11-dioxo-1,4,4a,5,5a,6,11,12a-octahydro-2-tetracenecarboxamide hydrochloride (1:1) (CAS: 64-72-2)?

This compound is primarily used in pharmaceutical research and development due to its potential as a bioactive agent. It may also find applications in organic synthesis as a versatile building block. In industrial and research settings, it is utilized for its unique chemical structure and properties, though specific commercial uses are limited due to its complexity and specialized nature.

Is (4S,4aS,5aS,6S,12aS)-7-Chloro-4-(dimethylamino)-3,6,10,12,12a-pentahydroxy-6-methyl-1,11-dioxo-1,4,4a,5,5a,6,11,12a-octahydro-2-tetracenecarboxamide hydrochloride (1:1) (CAS: 64-72-2) safe?

Safety considerations for this compound include potential toxicity based on its chemical structure. It should be handled with care in a well-ventilated area, using appropriate personal protective equipment. While it is not classified as highly toxic, its use should comply with standard chemical safety protocols to ensure safe handling and disposal in both laboratory and industrial environments.

How should (4S,4aS,5aS,6S,12aS)-7-Chloro-4-(dimethylamino)-3,6,10,12,12a-pentahydroxy-6-methyl-1,11-dioxo-1,4,4a,5,5a,6,11,12a-octahydro-2-tetracenecarboxamide hydrochloride (1:1) (CAS: 64-72-2) be stored?

This compound should be stored in a cool, dry place away from light. It is typically kept in a sealed container to maintain purity and prevent moisture absorption. Storage conditions should ensure a temperature range of 15-25°C and low humidity levels to maintain stability. Proper labeling and storage in a chemical cabinet are recommended for safe handling.