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127-33-3

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Basic Information
CAS No.: 127-33-3
Name: demeclocycline
Molecular Structure:
Molecular Structure of 127-33-3 (demeclocycline)
Formula: C21H21 Cl N2 O8
Molecular Weight: 464.859
Synonyms: 2-Naphthacenecarboxamide,7-chloro-4-(dimethylamino)-1,4,4a,5,5a,6,11,12a-octahydro-3,6,10,12,12a-pentahydroxy-1,11-dioxo-(8CI); 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-(4a,4aa,5aa,6b,12aa)]-; 6-Demethyl-7-chlorotetracycline;6-Demethyl-7-chlortetracycline; 6-Demethylchlorotetracycline;6-Demethylchlortetracycline;7-Chloro-4-dimethylamino-1,4,4a,5,5a,6,11,12a-octahydro-3,6,10,12,12a-pentahydroxy-1,11-dioxo-2-naphthacenecarboxamide;7-Chloro-6-demethyltetracycline; Bioterciclin; Chlortetracycline, 6-demethyl-;DMCT; DMCT (antibiotic); Deganol; Demeclocycline; Demeclor;Demethylchlorotetracycline; Demethylchlortetracyclin;Demethylchlortetracycline; Demetraclin; Diuciclin; Elkamicina; Ledermycin;Mexocine; Novotriclina; Perciclina; Periciclina; RP 10192; Sumaclina;Tri-demethylchlortetracycline
Density: 1.75g/cm3
Melting Point: 176°C (rough estimate)
Boiling Point: 684.5°Cat760mmHg
Flash Point: 367.8°C
Solubility: 1.4g/L(25 oC)
Safety: Poison by intravenous and intraperitoneal routes. Human systemic effects by ingestion: diabetes insipidus, urine volume increase, other changes in urine composition, dermatitis, changes in the nails, allergic rhinitis, serum sickness, effects on cyclic nucleotides. Human reproductive effects by an unspecified route: postnatal measures or effects on newborn. An experimental teratogen. Experimental reproductive effects. Human mutation data reported. When heated to decomposition it emits very toxic fumes of Cl− and NOx.
PSA: 181.62000
LogP: 0.96520
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Chemistry

Product Name: Methylchlortetracycline (CAS NO.127-33-3)


Molecular Formula: C21H21ClN2O8
Molecular Weight: 464.89g/mol
Mol File: 127-33-3.mol
Einecs: 204-834-8
Boiling point: 787.1 °C at 760 mmHg
Flash Point: 429.8 °C
Density: 1.75g/cm3
Surface Tension: 107.9 dyne/cm
Enthalpy of Vaporization: 120.1 kJ/mol
Vapour Pressure: 4.19E-26 mmHg at 25°C
XLogP3: -0.6
H-Bond Donor: 6
H-Bond Acceptor: 10

Toxicity Data With Reference

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
human TDLo oral 10mg/kg (10mg/kg) SKIN AND APPENDAGES (SKIN): "DERMATITIS, OTHER: AFTER SYSTEMIC EXPOSURE"

SKIN AND APPENDAGES (SKIN): NAILS: OTHER		 British Medical Journal. Vol. 2, Pg. 96, 1977.
human TDLo oral 68mg/kg/8D (68mg/kg) KIDNEY, URETER, AND BLADDER: URINE VOLUME INCREASED

KIDNEY, URETER, AND BLADDER: OTHER CHANGES IN URINE COMPOSITION		 Current Therapeutic Research, Clinical & Experimental. Vol. 15, Pg. 734, 1973.
human TDLo oral 420mg/kg/6W (420mg/kg) ENDOCRINE: DIABETES INSIPIDUS (NEPHROGENIC OR CNS) Annals of Internal Medicine. Vol. 79, Pg. 679, 1973.
mouse LD50 intraperitoneal 454mg/kg (454mg/kg)   Drugs in Japan Vol. 6, Pg. 497, 1982.
mouse LD50 intravenous 79mg/kg (79mg/kg)   Research Progress in Organic-Biological and Medicinal Chemistry. Vol. 2, Pg. 281, 1970.
mouse LDLo oral 4gm/kg (4000mg/kg)   Journal of Pharmacology and Experimental Therapeutics. Vol. 129, Pg. 350, 1960.
mouse LDLo subcutaneous 2500mg/kg (2500mg/kg)   Journal of Pharmacology and Experimental Therapeutics. Vol. 129, Pg. 350, 1960.
rat LD50 intraperitoneal 358mg/kg (358mg/kg)   Drugs in Japan Vol. 6, Pg. 497, 1982.
rat LD50 intravenous 146mg/kg (146mg/kg)   Gekkan Yakuji. Pharmaceuticals Monthly. Vol. 9, Pg. 759, 1967.
rat LD50 oral > 6750mg/kg (6750mg/kg)   Drugs in Japan Vol. 6, Pg. 497, 1982.
rat LD50 subcutaneous > 2gm/kg (2000mg/kg)   Drugs in Japan Vol. 6, Pg. 497, 1982.

Safety Profile

Poison by intravenous and intraperitoneal routes. Human systemic effects by ingestion: diabetes insipidus, urine volume increase, other changes in urine composition, dermatitis, changes in the nails, allergic rhinitis, serum sickness, effects on cyclic nucleotides. Human reproductive effects by an unspecified route: postnatal measures or effects on newborn. An experimental teratogen. Experimental reproductive effects. Human mutation data reported. When heated to decomposition it emits very toxic fumes of Cl− and NOx.

Specification

 Methylchlortetracycline ,its CAS NO. is 127-33-3,the synonyms is Demethylchlortetracycline ; 7-Chloro-6-demethyltetracycline ; Demethyichlortetracycline ; Methylchlorotetracycline ; Demethylchlorotetracycline ; 10192 Rp ; Bioterciclin ; Deganol .