Doxorubicin hydrochloride (25316-40-9),Doxorubicin hydrochloride (25316-40-9) Manufacturers & Suppliers,Synthesis,MSDS

Basic information

Name:
Doxorubicin hydrochloride
CAS No.:
25316-40-9
Molecular Structure:
Formula:
C₂₇H₃₀ClNO₁₁
Molecular Weight:
580.03
Synonyms:
5,12-Naphthacenedione,10-[(3-amino-2,3,6-trideoxy-a-L-lyxo-hexopyranosyl)oxy]-7,8,9,10-tetrahydro-6,8,11-trihydroxy-8-(hydroxyacetyl)-1-methoxy-,hydrochloride, (8S,10S)- (9CI);5,12-Naphthacenedione, 10-[(3-amino-2,3,6-trideoxy-a-L-lyxo-hexopyranosyl)oxy]-7,8,9,10-tetrahydro-6,8,11-trihydroxy-8-(hydroxyacetyl)-1-methoxy-,hydrochloride, (8S-cis)-;Adriamycin, hydrochloride (8CI);ADM hydrochloride;ADR;Adriablastina CS;Adriacin;Adriamycin;Adriblastin;Adriblastina;Adriblastina RD;DOX HCl;FI 106;FI 6804;Lipo-Dox;
EINECS:
246-818-3
Melting Point:
216 °C (dec.)(lit.)
Boiling Point:
810.3 °C at 760 mmHg
Flash Point:
443.8 °C
Appearance:
orange-red crystalline solid
Hazard Symbols:
T,T+
Risk Codes:
45-22-40-26/27/28
Safety Description:
53-45-36/37/39-22-7/9 Details

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Chemistry

Molecular Structure of Doxorubicin hydrochloride (CAS NO.25316-40-9):

IUPAC Name: (7S,9S)-7-[(2R,4S,5S,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 hydrochloride
Empirical Formula: C₂₇H₃₀ClNO₁₁
Molecular Weight: 579.9802
CAS Registry Number: 25316-40-9
EINECS: 246-818-3
Melting point: 216 ^°C (dec.)(lit.)
Storage temp: 2-8^°C
H bond acceptors: 12
H bond donors: 7
Freely Rotating Bonds: 11
Polar Surface Area: 128.29Å²
Flash Point: 443.8 °C
Enthalpy of Vaporization: 123.51 kJ/mol
Boiling Point: 810.3 °C at 760 mmHg
Vapour Pressure: 9.64E-28 mmHg at 25°C
Product Categories: APIs; Active Pharmaceutical Ingredients; API; Intermediates & Fine Chemicals; Pharmaceuticals; Antitumour
InChI
InChI=1/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
Smiles
c12c([C@H](C[C@@](C2)(C(CO)=O)O)O[C@@H]2C[C@@H]([C@@H](O)[C@@H](O2)C)N)c(c2C(c3c(cccc3C(c2c1O)=O)OC)=O)O.Cl

Toxicity Data With Reference

1.	dni-mus:leu 1500 nmol/L	JMCMAR Journal of Medicinal Chemistry. 22 (1979),912.
2.	oms-mus:leu 580 nmol/L	JMCMAR Journal of Medicinal Chemistry. 22 (1979),912.
3.	dni-ckn:emb 900 nmol/L	JMCMAR Journal of Medicinal Chemistry. 26 (1983),638.
4.	ivn-man LDLo:2571 µg/kg/3W-I:KID	AIMDAP Archives of Internal Medicine. 137 (1977),385.
5.	ivn-man TDLo:12 mg/kg/26W-I:CVS,PUL	AIMEAS Annals of Internal Medicine. 106 (1987),814.
6.	ipr-rat LD50:16,030 µg/kg	YAKUD5 Gekkan Yakuji. Pharmaceuticals Monthly. 21 (1979),359.
7.	scu-rat LD50:21,800 µg/kg	NIIRDN “Drugs in Japan. Ethical Drugs, 6th Edition 1982“ Edited by Japan Pharmaceutical Information Center. 6 (1982),506.
8.	ivn-rat LD50:13,100 µg/kg	NIIRDN “Drugs in Japan. Ethical Drugs, 6th Edition 1982“ Edited by Japan Pharmaceutical Information Center. 6 (1982),506.
9.	ims-rat LD50:16 mg/kg	NIIRDN “Drugs in Japan. Ethical Drugs, 6th Edition 1982“ Edited by Japan Pharmaceutical Information Center. 6 (1982),506.
10.	orl-m

Consensus Reports

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

Safety Profile

Poison by subcutaneous, intramuscular, intravenous, and intraperitoneal routes. Moderately toxic by ingestion. Experimental reproductive effects. Human systemic effects: changes in kidney tubules, cardiomyopathy, acute pulmonary edema. Questionable carcinogen with experimental tumorigenic data. Mutation data reported. An antineoplastic and immunosuppressive agent. When heated to decomposition it emits toxic fumes of NO_x and HCl.
Hazard Codes: Toxic T, Very T+
Risk Statements: 45-22-40-26/27/28
R45:May cause cancer.
R22:Harmful if swallowed.
R40:Limited evidence of a carcinogenic effect.
R26/27/28:Very toxic by inhalation, in contact with skin and if swallowed.
Safety Statements: 53-45-36/37/39-22-7/9
S53:Avoid exposure - obtain special instructions before use.
S45:In case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.)
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection.
S22:Do not breathe dust.
S7:Keep container tightly closed.
S9:Keep container in a well-ventilated place.
WGK Germany: 3
RTECS: QI9295900
F: 10-21

Specification

Doxorubicin hydrochloride , with CAS number of 25316-40-9, can be called (8S,10S)-10-((3-Amino-2,3,6-trideoxy-alpha-L-lyxo-hexopyranosyl)oxy)-8-glycoloyl-7,8,9,10-tetrahydro-6,8,11-trihydroxy-1-methoxy-5,12-naphthacenedione hydrochloride ; Adriacin ; Adriamycin PFS ; Doxorubicin HCl . It is an orange-red crystalline solid, used as an antineoplastic, Doxorubicin hydrochloride (CAS NO.25316-40-9) are weak chemical bases. They neutralize acids to form salts plus water. These acid-base reactions are exothermic. Amines may be incompatible with isocyanates, halogenated organics, peroxides, phenols (acidic), epoxides, anhydrides, and acid halides. Flammable gaseous hydrogen is generated by amines in combination with strong reducing agents, such as hydrides.