The 1,3-Diazaspiro[4.4]nonane-2,4-dione, with the CAS registry number 699-51-4, is also called 5,5'-Cyclopentanespirohydantoin. Its classification code is Drug / Therapeutic Agent. And the molecular formula of the chemical is C7H10N2O2.
The physical properties of 1,3-Diazaspiro[4.4]nonane-2,4-dione are as followings: (1)ACD/LogP: -0.18; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.18; (4)ACD/LogD (pH 7.4): -0.18; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 19.08 ; (8) ACD/KOC (pH 7.4): 19.08; (9)#H bond acceptors: 4; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 40.62 Å2; (13)Index of Refraction: 1.559; (14)Molar Refractivity: 37.91 cm3; (15)Molar Volume: 117.3 cm3; (16)Polarizability: 15.02×10-24cm3; (17)Surface Tension: 51.6 dyne/cm; (18)Density: 1.31 g/cm3.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C1NC(=O)NC12CCCC2
(2)InChI: InChI=1/C7H10N2O2/c10-5-7(3-1-2-4-7)9-6(11)8-5/h1-4H2,(H2,8,9,10,11)
(3)InChIKey: JTTFXYHJDZZDQK-UHFFFAOYAI
The toxicity data is as follows:
Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
---|---|---|---|---|---|
mouse | LD50 | oral | > 4gm/kg (4000mg/kg) | Journal of Medicinal Chemistry. Vol. 8, Pg. 239, 1965. | |
rat | LD | intraperitoneal | > 1gm/kg (1000mg/kg) | Biochemical Pharmacology. Vol. 5, Pg. 108, 1960. |
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