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Basic Information
CAS No.: 64-72-2
Name: Chlortetracycline hydrochloride
Molecular Structure:
Molecular Structure of 64-72-2 (Chlortetracycline hydrochloride)
Formula: C22H23ClN2O8.HCl
Molecular Weight: 515.347
Synonyms: 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 (8CI);7-Chlorotetracycline monohydrochloride;Aureociclina;7-Chlorotetracyclinehydrochloride;Aureocycline;Aureomycin hydrochloride;Aureomycin monohydrochloride;Aureovit12C80;Aurofac 100;Biomycin hydrochloride;Chlortetracyclinium chloride;Fermycin Soluble;Isphamycin;NSC 13252;Chlortetracycline hydrochloride;
EINECS: 200-591-7
Melting Point: 210-215 °C (dec.)(lit.)
Boiling Point: 828.9 °C at 760 mmHg
Flash Point: 455.1 °C
Solubility: Slightly soluble in ethanol and water. Hardly soluble in acetone, diethyl ether and chloroform
Appearance: Yellow solid
Hazard Symbols: IrritantXi
Risk Codes: 36/37/38
Safety: 26-36
PSA: 181.62000
LogP: 1.94130
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  • Chlortetracycline hydrochloride

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    64-72-2

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    Chlortetracycline hydrochloride

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  • Chlorotetracycline hydrochloride;7-Chlorotetracycline hydrochloride;CTC.99%

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    64-72-2

    Chlorotetracycline hydrochloride;7-Chlorotetracycline hydrochloride;CTC.99%

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  • Chlortetracycline Hydrochloride

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    Chlortetracycline Hydrochloride

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    Chlortetracycline hydrochloride Chemical Properties Melting point 210-215 °C (dec.)(lit.) alpha D23 -240° storage temp. 2-8°C solubility 1 M NaOH: soluble50mg/mL form Powder color faint yellow to yellow pka 3.3(

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Specification

The Piperazine citrate, with the CAS registry number 64-72-2, is also known as Aureomycin monohydrochloride. It belongs to the product categories of Intermediates & Fine Chemicals; Pharmaceuticals. Its EINECS number is 200-591-7. This chemical's molecular formula is C22H23ClN2O8.HCl and molecular weight is 515.34. What's more, its systematic name 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). Its classification codes are: (1)Antibacterial; (2)Antiprotozoal; (3)Drug / Therapeutic Agent; (4)Reproductive Effect. This chemical should be sealed and stored in a cool and dry place. Moreover, it should be protected from light. It is used as additive of Levine eosin-methylene blue agar.

Physical properties of Piperazine citrate are: (1)# of Rule of 5 Violations: 3; (2)ACD/LogD (pH 5.5): -3.06; (3)ACD/LogD (pH 7.4): -3.56; (4)ACD/BCF (pH 5.5): 1.00; (5)ACD/BCF (pH 7.4): 1.00; (6)ACD/KOC (pH 5.5): 1.00; (7)ACD/KOC (pH 7.4): 1.00; (8)#H bond acceptors: 10; (9)#H bond donors: 7; (10)#Freely Rotating Bonds: 7; (11)Polar Surface Area: 181.62 Å2; (12)Flash Point: 455.1 °C; (13)Enthalpy of Vaporization: 126.28 kJ/mol; (14)Boiling Point: 828.9 °C at 760 mmHg; (15)Vapour Pressure: 4.07E-29 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
This chemical is irritating to eyes, respiratory system and skin. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. When using it, you need wear suitable protective clothing.

You can still convert the following datas into molecular structure:
(1)SMILES: Cl.CN(C)[C@@H]2C(\O)=C(\C(N)=O)C(=O)[C@@]3(O)C(/O)=C4/C(=O)c1c(O)ccc(Cl)c1[C@@](C)(O)[C@H]4C[C@@H]23
(2)Std. 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
(3)Std. InChIKey: CBHYYLPALVVVEY-MRFRVZCGSA-N

The toxicity data is as follows:  

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
cat LD intravenous > 50mg/kg (50mg/kg) GASTROINTESTINAL: NAUSEA OR VOMITING Annals of the New York Academy of Sciences. Vol. 51, Pg. 182, 1948.
dog LDLo intravenous 150mg/kg (150mg/kg) KIDNEY, URETER, AND BLADDER: HEMATURIA

LUNGS, THORAX, OR RESPIRATION: DYSPNEA

BEHAVIORAL: TREMOR
Annals of the New York Academy of Sciences. Vol. 51, Pg. 254, 1948.
guinea pig LD subcutaneous > 300mg/kg (300mg/kg)   Annals of the New York Academy of Sciences. Vol. 51, Pg. 182, 1948.
guinea pig LDLo intravenous 100mg/kg (100mg/kg)   Annals of the New York Academy of Sciences. Vol. 51, Pg. 182, 1948.
mouse LD50 intraperitoneal 197mg/kg (197mg/kg)   Research Progress in Organic-Biological and Medicinal Chemistry. Vol. 2, Pg. 278, 1970.
mouse LD50 intravenous 100mg/kg (100mg/kg)   Arzneimittel-Forschung. Drug Research. Vol. 14, Pg. 95, 1964.
mouse LD50 oral 2314mg/kg (2314mg/kg)   Arzneimittel-Forschung. Drug Research. Vol. 14, Pg. 95, 1964.
mouse LDLo subcutaneous 400mg/kg (400mg/kg)   Annals of the New York Academy of Sciences. Vol. 51, Pg. 182, 1948.
rabbit LD intravenous > 50mg/kg (50mg/kg)   Annals of the New York Academy of Sciences. Vol. 51, Pg. 182, 1948.
rat LD oral > 3gm/kg (3000mg/kg)   Annals of the New York Academy of Sciences. Vol. 51, Pg. 182, 1948.
rat LD50 intraperitoneal 335mg/kg (335mg/kg) LUNGS, THORAX, OR RESPIRATION: RESPIRATORY STIMULATION

BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD
Antibiotics Annual. Vol. 1, Pg. 63, 1953/1954.
rat LD50 intravenous 100mg/kg (100mg/kg)   Bollettino Chimico Farmaceutico. Vol. 102, Pg. 660, 1963.