-
Name
(R)-Oxiracetam
- EINECS
- CAS No. 68252-28-8
- Article Data19
- CAS DataBase
- Density 1.416 g/cm3
- Solubility
- Melting Point 163-167 °C
- Formula C6H10N2O3
- Boiling Point 494.6 °C at 760 mmHg
- Molecular Weight 158.157
- Flash Point 252.9 °C
- Transport Information
- Appearance
- Safety
- Risk Codes
-
Molecular Structure
- Hazard Symbols
- Synonyms 1-Pyrrolidineacetamide,4-hydroxy-2-oxo-, (R)-;
- PSA 83.63000
- LogP -1.29690
(R)-Oxiracetam Specification
The (R)-Oxiracetam, with CAS registry number 68252-28-8, belongs to the following product category: APIs. Its systematic name and its IUPAC name are the same, which is 2-[(4R)-4-hydroxy-2-oxopyrrolidin-1-yl]acetamide. And its classification code is Drug / Therapeutic Agent. What's more, the chemical formula of this chemical is C6H10N2O3.
Physical properties of (R)-Oxiracetam: (1)ACD/LogP: -2.48; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -2.48; (4)ACD/LogD (pH 7.4): -2.48; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1.07; (8)ACD/KOC (pH 7.4): 1.07; (9)#H bond acceptors: 5; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 49.85 Å2; (13)Index of Refraction: 1.57; (14)Molar Refractivity: 36.62 cm3; (15)Molar Volume: 111.6 cm3; (16)Polarizability: 14.51×10-24cm3; (17)Surface Tension: 69.2 dyne/cm; (18)Enthalpy of Vaporization: 87.77 kJ/mol; (19)Vapour Pressure: 7.39E-12 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(N)CN1C(=O)C[C@@H](O)C1
(2)InChI: InChI=1/C6H10N2O3/c7-5(10)3-8-2-4(9)1-6(8)11/h4,9H,1-3H2,(H2,7,10)/t4-/m1/s1
(3)InChIKey: IHLAQQPQKRMGSS-SCSAIBSYBH
(4)Std. InChI: InChI=1S/C6H10N2O3/c7-5(10)3-8-2-4(9)1-6(8)11/h4,9H,1-3H2,(H2,7,10)/t4-/m1/s1
(5)Std. InChIKey: IHLAQQPQKRMGSS-SCSAIBSYSA-N
The toxicity data is as follows:
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| mouse | LDLo | intraperitoneal | > 1gm/kg (1000mg/kg) | Farmaco, Edizione Scientifica. Vol. 39, Pg. 16, 1984. |
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