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| Name |
Dopan |
EINECS | N/A |
| CAS No. | 520-09-2 | Density | 1.39g/cm3 |
| PSA | 68.96000 | LogP | 0.65560 |
| Solubility | N/A | Melting Point |
N/A |
| Formula | C9H13 Cl2 N3 O2 | Boiling Point | °Cat760mmHg |
| Molecular Weight | 266.127 | Flash Point | °C |
| Transport Information | N/A | Appearance | N/A |
| Safety | Poison by ingestion and intraperitoneal routes. Human mutation data reported. When heated to decomposition it emits toxic fumes of Cl− and NOx. | Risk Codes | N/A |
| Molecular Structure |
|
Hazard Symbols | N/A |
| Synonyms |
Uracil,5-[bis(2-chloroethyl)amino]-6-methyl- (7CI,8CI);2,6-Dihydroxy-4-methyl-5-[bis(2-chloroethyl)amino]pyrimidine; 4-Methyl-5-[bis(b-chloroethyl)amino]uracil;Chloroethylaminouracil; Dopan; ENT 50698; Elderfield pyrimidine mustard; NSC44629 |
Dopan Chemical Properties
Molecular Structure of Dopan (CAS NO.520-09-2):
IUPAC: 5-[Bis(2-chloroethyl)amino]-6-methyl-1H-pyrimidine-2,4-dione
Molecular Formula:C9H13Cl2N3O2
Molecular Weight:266.12
Density:1.39 g/cm3
Melting Point:184oC
SMILES:O=C1N/C(=C(/N(CCCl)CCCl)C(=O)N1)C
InChI:InChI=1/C9H13Cl2N3O2/c1-6-7(8(15)13-9(16)12-6)14(4-2-10)5-3-11/h2-5H2,1H3,(H2,12,13,15,16)
InChIKey:SDTHIDMOBRXVOQ-UHFFFAOYAR
Index of Refraction:1.564
Molar Volume:191.1cm3
Surface Tension:51.4 dyne/cm
Molar Refractivity:62.2cm3
Dopan Toxicity Data With Reference
| 1. | cyt-hmn:leu 2500 µg/L | TSITAQ Tsitologiya. Cytology. 15 (1973),1505. | ||
| 2. | dni-mus:ast 2 mg/L | NEOLA4 Neoplasma. 22 (1975),105. | ||
| 3. | oms-mus:ast 2 mg/L | NEOLA4 Neoplasma. 22 (1975),105. | ||
| 4. | cyt-mky:kdy 100 mg/L | TSITAQ Tsitologiya. Cytology. 15 (1973),1505. | ||
| 5. | orl-rat LD50:2400 µg/kg | BCFAAI Bollettino Chimico Farmaceutico. 101 (1962),630. | ||
| 6. | ipr-mus LDLo:3 mg/kg | FATOAO Farmakologiya i Toksikologiya (Moscow). 34 (1971),83. |
Dopan Safety Profile
Poison by ingestion and intraperitoneal routes. Human mutation data reported. When heated to decomposition it emits toxic fumes of Cl− and NOx.
Dopan Specification
Dopan with cas registry number of 520-09-2 is also known as 2,6-Dihydroxy-4-methyl-5-[bis(2-chloroethyl)amino]pyrimidine ; 5-Di(2-chloroethyl)amino-6-methyluracil ; Chloroethylaminouracil ; Dopan ; Chlorethylaminouracil ; Chloroethylaminouracil dopan ; 5-[Bis(2-chloroethyl)amino]-6-methyl-2,4(1H,3H)-pyrimidinedione ; Elderfield pyrimidine mustard . It is a compound with the appearance of snow-white crystals. It is practically insoluble in water, acetone and benzene. Dopan with cas registry number of 520-09-2 is used as a drug because it has a certain effect in the treatment of chronic myeloid leukemia and lymphatic reticular cell sarcoma .
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