This chemical is called Capastat sulfate, and its CAS registry number is 1405-37-4. With the molecular formula of C25H44N14O7.H2SO4, its molecular weight is 750.78. Additionally, its product categories are A - KAntibiotics; Antibacterial; Antibiotics A to;A ntibiotics A-FAntibiotics; Interferes with DNA Synthesis; Mechanism of Action; Spectrum of Activity.
Other characteristics of the Capastat sulfate can be summarised as followings: (1)ACD/LogP: -10.95; (2)# of Rule of 5 Violations: 3; (3)ACD/LogD (pH 5.5): -16.65; (4)ACD/LogD (pH 7.4): -15.97; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 22; (10)#H bond donors: 19; (11)#Freely Rotating Bonds: 14; (12)Polar Surface Area: 183.2 Å2; (13)Flash Point: 786.4 °C; (14)Enthalpy of Vaporization: 234.62 kJ/mol; (15)Boiling Point: 1376.7 °C at 760 mmHg; (16)Vapour Pressure: 0 mmHg at 25°C.
When you are using this chemical, please be cautious about it as the following: This chemical is harmful by inhalation, in contacting with skin and if swallowed. It may cause harm to the unborn child. Avoid exposure - obtain special instructions before use.
You can still convert the following datas into molecular structure:
1.SMILES: O=S(=O)(O)O.O=C1NCC(N)C(=O)NC(C(=O)NC(C(=O)NC(/C(=O)NC1C2N\C(=N/CC2)N)=C\NC(=O)N)CNC(=O)CC(N)CCCN)CO
2.InChI: InChI=1/C25H44N14O8.H2O4S/c26-4-1-2-11(27)6-17(41)32-8-14-20(43)35-15(9-34-25(30)47)21(44)39-18(13-3-5-31-24(29)38-13)23(46)33-7-12(28)19(42)37-16(10-40)22(45)36-14;1-5(2,3)4/h9,11-14,16,18,40H,1-8,10,26-28H2,(H,32,41)(H,33,46)(H,35,43)(H,36,45)(H,37,42)(H,39,44)(H3,29,31,38)(H3,30,34,47);(H2,1,2,3,4)/b15-9-;
3.InChIKey: AJQVUIHGEOLMDY-SOCRLDLMBZ
The toxicity data is as follows:
Organism Test Type Route Reported Dose (Normalized Dose) Effect Source mouse LD50 intravenous 250mg/kg (250mg/kg) Drugs in Japan Vol. -, Pg. 259, 1990. mouse LD50 subcutaneous 514mg/kg (514mg/kg) Drugs in Japan Vol. 6, Pg. 175, 1982. rat LD50 intravenous 325mg/kg (325mg/kg) Drugs in Japan Vol. -, Pg. 259, 1990. rat LD50 subcutaneous 1191mg/kg (1191mg/kg) Drugs in Japan Vol. -, Pg. 259, 1990.
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