CAS No.56420-45-2,Epirubicin Suppliers

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Basic Information

Molecular Structure:
CAS No.:	56420-45-2
Name:	Epirubicin
Article Data:	3

Formula:	C₂₇H₂₉NO₁₁
Molecular Weight:	579.988
Synonyms:	5,12-Naphthacenedione,10-[(3-amino-2,3,6-trideoxy-a-L-arabino-hexopyranosyl)oxy]-7,8,9,10-tetrahydro-6,8,11-trihydroxy-8-(hydroxyacetyl)-1-methoxy-,(8S,10S)- (9CI);5,12-Naphthacenedione, 10-[(3-amino-2,3,6-trideoxy-a-L-arabino-hexopyranosyl)oxy]-7,8,9,10-tetrahydro-6,8,11-trihydroxy-8-(hydroxyacetyl)-1-methoxy-,(8S-cis)-;4'-Epi-DX;4'-Epiadriamycin;4'-Epidoxorubicin;4'-epi-Adriamycin;4'-epi-Doxorubicin;Epiadriamycin;Epidoxorubicin;Farmarubicin;Farmarubicine;IMI 28;NSC 256942;Pharmarubicin;Pidorubicin;WP 697;
Density:	1.61 g/cm³
Boiling Point:	810.3 °C at 760 mmHg
Flash Point:	443.8 °C
PSA:	206.07000
LogP:	0.70160

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Chemistry

Molecular Structure of 5,12-Naphthacenedione,10-[(3-amino-2,3,6-trideoxy-a-L-arabino-hexopyranosyl)oxy]-7,8,9,10-tetrahydro-6,8,11-trihydroxy-8-(2-hydroxyacetyl)-1-methoxy-,(8S,10S)- (CAS NO.56420-45-2):

IUPAC Name: (7S,9S)-7-[(2R,4S,5R,6S)-4-Amino-5-hydroxy-6-methyloxan-2-yl]oxy-6,9,11-trihydroxy-9-(2-hydroxyacetyl)-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione
Empirical Formula: C₂₇H₂₉NO₁₁
Molecular Weight: 543.5193
H bond acceptors: 12
H bond donors: 7
Freely Rotating Bonds: 11
Polar Surface Area: 128.29 Å²
Index of Refraction: 1.709
Molar Refractivity: 131.52 cm³
Molar Volume: 336.6 cm³
Density: 1.61 g/cm³
Flash Point: 443.8 °C
Surface Tension: 96.4 dyne/cm
Enthalpy of Vaporization: 123.51 kJ/mol
Boiling Point: 810.3 °C at 760 mmHg
Vapour Pressure: 9.64E-28 mmHg at 25 °C
SMILES: O=C2c1c(O)c5c(c(O)c1C(=O)c3cccc(OC)c23)C[C@@](O)(C(=O)CO)C[C@@H]5O[C@@H]4O[C@H]([C@H](O)[C@@H](N)C4)C
InChI: InChI=1/C27H29NO11/c1-10-22(31)13(28)6-17(38-10)39-15-8-27(36,16(30)9-29)7-12-19(15)26(35)21-20(24(12)33)23(32)11-4-3-5-14(37-2)18(11)25(21)34/h3-5,10,13,15,17,22,29,31,33,35-36H,6-9,28H2,1-2H3/t10-,13-,15-,17-,22-,27-/m0/s1
InChIKey: AOJJSUZBOXZQNB-VTZDEGQIBI

Toxicity Data With Reference

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
dog	LD50	intravenous	2mg/kg (2mg/kg)	GASTROINTESTINAL: "HYPERMOTILITY, DIARRHEA" GASTROINTESTINAL: NAUSEA OR VOMITING	Toxicology and Applied Pharmacology. Vol. 79, Pg. 412, 1985.
mouse	LD50	intravenous	16070ug/kg (16.07mg/kg)		Toxicology and Applied Pharmacology. Vol. 79, Pg. 412, 1985.
mouse	LD50	unreported	29300ug/kg (29.3mg/kg)		Biochemical Pharmacology. Vol. 38, Pg. 167, 1989.
rabbit	LDLo	intrapleural	400ug/kg (0.4mg/kg)	CARDIAC: OTHER CHANGES LUNGS, THORAX, OR RESPIRATION: "FIBROSIS, FOCAL (PNEUMOCONIOSIS)" LUNGS, THORAX, OR RESPIRATION: ACUTE PULMONARY EDEMA	Pharmacology and Toxicology Vol. 62, Pg. 84, 1988.
rat	LD50	intravenous	14270ug/kg (14.27mg/kg)		Toxicology and Applied Pharmacology. Vol. 79, Pg. 412, 1985.

Specification

5,12-Naphthacenedione,10-[(3-amino-2,3,6-trideoxy-a-L-arabino-hexopyranosyl)oxy]-7,8,9,10-tetrahydro-6,8,11-trihydroxy-8-(2-hydroxyacetyl)-1-methoxy-,(8S,10S)- , with CAS number of 56420-45-2, can be called (1S,3S)-3,5,12-trihydroxy-3-(hydroxyacetyl)-10-(methyloxy)-6,11-dioxo-1,2,3,4,6,11-hexahydrotetracen-1-yl 3-amino-2,3,6-trideoxy-alpha-L-arabino-hexopyranoside ; (1S,3S)-3,5,12-trihydroxy-3-(hydroxyacetyl)-10-methoxy-6,11-dioxo-1,2,3,4,6,11-hexahydrotetracen-1-yl 3-amino-2,3,6-trideoxy-a-L-arabino-hexopyranoside ; (1S,3S)-3,5,12-trihydroxy-3-(hydroxyacetyl)-10-methoxy-6,11-dioxo-1,2,3,4,6,11-hexahydrotetracen-1-yl 3-amino-2,3,6-trideoxy-alpha-L-arabino-hexopyranoside ; (1S,3S)-3-Glycoloyl-3,5,12-trihydroxy-10-methoxy-6,11-dioxo-1,2,3,4,6,11-hexahydrotetracen-1-yl 3-amino-2,3,6-trideoxy-alpha-L-arabino-hexopyranoside ; and (3S)-3-Glycoloyl-3,5,12-trihydroxy-10-methoxy-6,11-dioxo-1,2,3,4,6,11-hexahydro-1-tetracenyl 3-amino-2,3,6-trideoxy-alpha-L-arabino-hexopyranoside . Its classification code are Antibiotics, Antineoplastic; Antineoplastic Agents; Drug / Therapeutic Agent; Mutation data.