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| CAS No.: | 551-74-6 |
|---|---|
| Name: | Mannomustine |
| Molecular Structure: | |
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| Formula: | C10H22 Cl2 N2 O4 . 2 Cl H |
| Molecular Weight: | 378.13 |
| Synonyms: | Mannitol,1,6-bis[(2-chloroethyl)amino]-1,6-dideoxy-, dihydrochloride, D- (8CI);1,6-Bis(chloroethylamino)-1,6-dideoxy-D-mannitol dihydrochloride;1,6-Bis(b-chlorethylamino)-1,6-didesoxy-D-mannitoldihydrochloride;1,6-Bis[(2-chloroethyl)amino]-1,6-dideoxy-D-mannitoldihydrochloride;Degranol;Degranol chinoin;Dimesylmannitol hydrochloride;Mannitol mustard dihydrochloride;Mannomustine dihydrochloride;Mannomustinehydrochloride;NSC 9698; |
| EINECS: | 234-232-0 |
| Boiling Point: | 541.9°C at 760 mmHg |
| Flash Point: | 281.5°C |
| Safety: | Poison by intravenous, subcutaneous, and parenteral routes. Experimental reproductive effects. Questionable carcinogen with experimental carcinogenic and neoplastigenic data. Human mutation data reported. A drug used for the treatment of malignant neoplasms. When heated to decomposition it emits very toxic fumes of HCl and NOx. See also MANNOMUSTINE. |
| PSA: | 104.98000 |
| LogP: | 0.47260 |
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Chemistry
IUPAC Name: (2R,3R,4R,5R)-1,6-bis(2-Chloroethylamino)hexane-2,3,4,5-tetroldihydrochloride
Following is the structure of Mannomustine dihydrochloride (CAS NO.551-74-6):
Empirical Formula: C10H24Cl4N2O4
Molecular Weight: 378.1206
Flash Point: 281.5 °C
Enthalpy of Vaporization: 94.28 kJ/mol
Boiling Point: 541.9 °C at 760 mmHg
Vapour Pressure of Mannomustine dihydrochloride (CAS NO.551-74-6): 5.27E-14 mmHg at 25 °C
Canonical SMILES: C(CCl)NCC(C(C(C(CNCCCl)O)O)O)O.Cl.Cl
Isomeric SMILES: C(CCl)NC[C@H]([C@H]([C@@H]([C@@H](CNCCCl)O)O)O)O.Cl.Cl
InChI: InChI=1S/C10H22Cl2N2O4.2ClH/c11-1-3-13-5-7(15)9(17)10(18)8(16)6-14-4-2-12;/h7-10,13-18H,1-6H2;2*1H/t7-,8-,9-,10-;/m1../s1
InChIKey: GBKLAYXZNQSPBS-XYSQQLOGSA-N
Toxicity Data With Reference
| 1. | cyt-hmn:lym 10 µmol/L | IPPABX Iugoslavica Physiologica et Pharmacologica Acta. 17 (1981),131. | ||
| 2. | sce-hmn:lym 3 µmol/L | IPPABX Iugoslavica Physiologica et Pharmacologica Acta. 17 (1981),131. | ||
| 3. | dnd-mus-ipr 200 mg/kg | FOBLAN Folia Biologica (Prague). 25 (1979),380. | ||
| 4. | hma-mus/esc 1 mg/kg | MUREAV Mutation Research. 21 (1973),190. | ||
| 5. | ipr-mus TDLo:23 mg/kg/4W:CAR | JNCIAM Journal of the National Cancer Institute. 36 (1966),915. | ||
| 6. | ipr-mus TDLo:7265 µg/kg/4W-I:NEO | JNCIAM Journal of the National Cancer Institute. 36 (1966),915. | ||
| 7. | par-rat LD50:56 mg/kg | RRCRBU Recent Results in Cancer Research. 52 (1975),76. | ||
| 8. | scu-mus LD50:120 mg/kg | RFECAC Revue Francaise dEtudes Cliniques et Biologiques. 7 (1962),296. | ||
| 9. | ivn-dog LDLo:7600 µg/kg | CCSUBJ Cancer Chemotherapy Reports, Part 2. 2 (1965),201. | ||
| 10. | ivn-mky LDLo:15 mg/kg | CCSUBJ Cancer Chemotherapy Reports, Part 2. 2 (1965),201. |
Consensus Reports
IARC Cancer Review: Group 3 IMEMDT IARC Monographs on the Evaluation of Carcinogenic Risk of Chemicals to Man . 7 ,1987,p. 56.(World Health Organization, Internation Agency for Research on Cancer,Lyon, France.: ) (Single copies can be ordered from WHO Publications Centre U.S.A., 49 Sheridan Avenue, Albany, NY 12210) ; Animal Sufficient Evidence IMEMDT IARC Monographs on the Evaluation of Carcinogenic Risk of Chemicals to Man . 9 ,1975,p. 157.(World Health Organization, Internation Agency for Research on Cancer,Lyon, France.: ) (Single copies can be ordered from WHO Publications Centre U.S.A., 49 Sheridan Avenue, Albany, NY 12210) .
Safety Profile
Poison by intravenous, subcutaneous, and parenteral routes. Experimental reproductive effects. Questionable carcinogen with experimental carcinogenic and neoplastigenic data. Human mutation data reported. A drug used for the treatment of malignant neoplasms. When heated to decomposition, Mannomustine dihydrochloride (CAS NO.551-74-6) emits very toxic fumes of HCl and NOx. See also MANNOMUSTINE.
Specification
Mannomustine dihydrochloride , its cas register number is 551-74-6. It also can be called 1,6-Bis(beta-chloroethylamino)-1,6-dideoxy-D-mannitol dihydrochloride ; 1,6-Bis(chloroethylamino)-1,6-desoxymannitol dihydrochloride ; 1,6-Dideoxy-1,6-di(2-chloroethylamino)-D-mannitol dihydrochloride ; Degranol ; and Degranol chinoin . Its classification code are Drug / Therapeutic Agent; Mutation data; Reproductive Effect and Tumor data.