NTP 10th Report on Carcinogens. EPA Genetic Toxicology Program.

The Doxorubicin hydrochloride, with the CAS registry number 25316-40-9,is also known as (8S-cis)-10-[(3-Amino-2,3,6-trideoxy-alpha-L-lyxo-hexopyranosyl)oxy]-7,8,9,10-tetrahydro-6,8,11-trihydroxy-8-(hydroxyacetyl)-1-methoxynaphthacene-5,12-dione hydrochloride. It belongs to the product categories of Pharmaceuticals;Antitumour. This chemical's molecular formula is  C₂₇H₂₉NO₁₁^.HCl and molecular weight is 579.99.Its EINECS number is 246-818-3. What's more,Its systematic name is Adriamycin hydrochloride. It is a Orange-Red Crystalline Solid which is Used as an antineoplastic.Antineoplastic antibiotic obtained from Streptomyces peucetius. It is a hydroxy derivative of daunorubicin.

Physical properties about Doxorubicin hydrochloride are:
(1)ACD/LogP:  2.821; (2)# of Rule of 5 Violations:  3; (3)ACD/LogD (pH 5.5):  0.02; (4)ACD/LogD (pH 7.4):  1.12; (5)ACD/BCF (pH 5.5):  1.00; (6)ACD/BCF (pH 7.4):  1.62; (7)ACD/KOC (pH 5.5):  1.29; (8)ACD/KOC (pH 7.4):  16.07; (9)#H bond acceptors:  12; (10)#H bond donors:  7; (11)#Freely Rotating Bonds:  11; (12)Flash Point:  443.8 °C; (13)Enthalpy of Vaporization:  123.51 kJ/mol; (14)Boiling Point:  810.3 °C at 760 mmHg; (15)Vapour Pressure:  9.64E-28 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES:Cl.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;
(2)Std. InChI:InChI=1S/C27H29NO11.ClH/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;1H/t10-,13-,15-,17-,22+,27-;/m0./s1;
(3)Std. InChIKey:MWWSFMDVAYGXBV-RUELKSSGSA-N.

Safety Information of Doxorubicin hydrochloride:
The Doxorubicin hydrochloride is harmful if swallowed and very toxic by inhalation, in contact with skin and if swallowed. It may cause cancer. But there is limited evidence of a carcinogenic effect. In case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.) .Avoid exposure - obtain special instructions before use. When you use it ,wear suitable protective clothing, gloves and eye/face protection ,and do not breathe dust. After you use it ,keep container tightly closed, and keep container in a well-ventilated place.

The toxicity data of Doxorubicin hydrochloride are as follows: