Product Name

  • Name

    mannomustine

  • EINECS
  • CAS No. 576-68-1
  • Density 1.353g/cm3
  • Solubility
  • Melting Point 278°C (rough estimate)
  • Formula C10H22 Cl2 N2 O4
  • Boiling Point 541.9°C at 760 mmHg
  • Molecular Weight 305.202
  • Flash Point 281.5°C
  • Transport Information
  • Appearance
  • Safety Poison by intraperitoneal and intravenous routes. Human mutation data reported. An antineoplastic agent. When heated to decomposition it emits very toxic fumes of Cl and NOx.
  • Risk Codes
  • Molecular Structure Molecular Structure of 576-68-1 (mannomustine)
  • Hazard Symbols
  • Synonyms Mannitol,1,6-bis[(2-chloroethyl)amino]-1,6-dideoxy-, D- (8CI);1,6-Bis(chloroethylaino)-1,6-bis-deoxy-D-mannitol; BCM; BCM (cytostatic);Mannitol mustard; Mannomustin; Mannomustine
  • PSA 104.98000
  • LogP -1.13140

Mannomustine Chemical Properties

Empirical Formula of Mannomustine (CAS NO.576-68-1): C10H22Cl2N2O4
Molecular Weight: 305.1987 g/mol
EINECS: 209-404-3 
Index of Refraction: 1.544
Density: 1.353 g/cm3
Flash Point: 281.5 °C
Enthalpy of Vaporization: 94.28 kJ/mol
Boiling Point: 541.9 °C at 760 mmHg
Vapour Pressure: 5.27E-14 mmHg at 25 °C
Structure of Mannomustine (CAS NO.576-68-1):
                            
IUPAC Name: (2R,3R,4R,5R)-1,6-Bis(2-chloroethylamino)hexane-2,3,4,5-tetrol
Canonical SMILES: C(CCl)NCC(C(C(C(CNCCCl)O)O)O)O
Isomeric SMILES: C(CCl)NC[C@H]([C@H]([C@@H]([C@@H](CNCCCl)O)O)O)O
InChI: InChI=1S/C10H22Cl2N2O4/c11-1-3-13-5-7(15)9(17)10(18)8(16)6-14-4-2-12/h7-10,13-18H,1-6H2/t7-,8-,9-,10-/m1/s1
InChIKey: MQXVYODZCMMZEM-ZYUZMQFOSA-N

Mannomustine Toxicity Data With Reference

1.    

dni-hmn:lym 100 µmol/L

    AGACBH    Agents and Actions, A Swiss Journal of Pharmacology. 4 (1974),117.
2.    

ipr-rat LD50:56 mg/kg

    ARZNAD    Arzneimittel-Forschung. Drug Research. 11 (1961),143.
3.    

ivn-rat LD50:56 mg/kg

    ARZNAD    Arzneimittel-Forschung. Drug Research. 20 (1970),1467.
4.    

ivn-mus LD50:90 mg/kg

    ANYAA9    Annals of the New York Academy of Sciences. 68 (1958),879.
5.    

ivn-dog LD50:50 mg/kg

    ANYAA9    Annals of the New York Academy of Sciences. 68 (1958),879.
6.    

ivn-rbt LD50:50 mg/kg

    ANYAA9    Annals of the New York Academy of Sciences. 68 (1958),879.
7.    

ivn-gpg LDLo:20 mg/kg

    ANYAA9    Annals of the New York Academy of Sciences. 68 (1958),879.

Mannomustine Safety Profile

Poison by intraperitoneal and intravenous routes. Human mutation data reported. An antineoplastic agent. When heated to decomposition Mannomustine (CAS NO.576-68-1) emits very toxic fumes of Cl and NOx.

Mannomustine Specification

 Mannomustine , its cas register number is 576-68-1. It also can be called Mannitol nitrogen mustard ; and 1,6-Bis((2-chloroethyl)amino)-1,6-dideoxy-D-mannitol .

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