-
Name
1-HYDROXY-5-OXO-5H-PYRIDO[3,2-A]PHENOXAZINE-3-CARBOXYLIC ACID MONOSODIUM SALT
- EINECS 257-181-6
- CAS No. 51410-30-1
- Density 1.7g/cm3
- Solubility
- Melting Point
- Formula C16H7N2NaO5
- Boiling Point 515.8 °C at 760 mmHg
- Molecular Weight 330.2269
- Flash Point 265.7 °C
- Transport Information
- Appearance
- Safety
- Risk Codes
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Molecular Structure
- Hazard Symbols
- Synonyms 5H-Pyrido[3,2-a]phenoxazine-3-carboxylicacid, 1-hydroxy-5-oxo-, monosodium salt (9CI);Catalin sodium;Pirenoxinesodium;Pirfenoxone sodium salt;Sodium1-hydroxy-5-oxo-5H-pyrido[3,2-a]phenoxazine-3-carboxylate;sodium 1,5-dioxo-1,5-dihydro-4H-pyrido[3,2-a]phenoxazine-3-carboxylate;Pirenoxine sodium;1-Hydroxy-5-oxo-5H-pyrido(3,2-a)phenoxazine-3-carboxylic acid sodium salt;Pirenoxine sodium salt;Sodium 1-hydroxy-5-oxo-5H-pyrido(3,2-a)phenoxazine-3-carboxylate;
- PSA 116.35000
- LogP 0.91010
5H-Pyrido[3,2-a]phenoxazine-3-carboxylicacid, 1-hydroxy-5-oxo-, sodium salt (1:1) Specification
The 5H-Pyrido[3,2-a]phenoxazine-3-carboxylicacid, 1-hydroxy-5-oxo-, sodium salt (1:1), with the CAS registry number 51410-30-1 and EINECS registry number 257-181-6, has the systematic name of sodium 1,5-dioxo-1,5-dihydro-4H-pyrido[3,2-a]phenoxazine-3-carboxylate. And the molecular formula of the chemical is C16H7N2NaO5.
The characteristics of 5H-Pyrido[3,2-a]phenoxazine-3-carboxylicacid, 1-hydroxy-5-oxo-, sodium salt (1:1) are as followings: (1)ACD/LogP: -0.91; (2)# of Rule of 5 Violations: 0 ; (3)#H bond acceptors: 7; (4)#H bond donors: 2; (5)#Freely Rotating Bonds: 1; (6)Polar Surface Area: 96.27 Å2; (7)Flash Point: 265.7 °C; (8)Enthalpy of Vaporization: 82.93 kJ/mol; (9)Boiling Point: 515.8 °C at 760 mmHg; (10)Vapour Pressure: 1.83E-11 mmHg at 25°C.
Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: [Na+].[O-]C(=O)\C3=C\C(=O)C=2\C1=N\c4c(O/C1=C/C(=O)C=2N3)cccc4
(2)InChI: InChI=1/C16H8N2O5.Na/c19-9-5-8(16(21)22)18-14-10(20)6-12-15(13(9)14)17-7-3-1-2-4-11(7)23-12;/h1-6H,(H,18,19)(H,21,22);/q;+1/p-1
(3)InChIKey: HDQXPMXHXZNPKE-REWHXWOFAD
The toxicity data is as follows:
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| mouse | LD50 | intraperitoneal | 2120mg/kg (2120mg/kg) | BEHAVIORAL: CHANGES IN MOTOR ACTIVITY (SPECIFIC ASSAY) BEHAVIORAL: ANTIPSYCHOTIC | Oyo Yakuri. Pharmacometrics. Vol. 8, Pg. 911, 1974. |
| mouse | LD50 | oral | > 10gm/kg (10000mg/kg) | BEHAVIORAL: CHANGES IN MOTOR ACTIVITY (SPECIFIC ASSAY) BEHAVIORAL: ANTIPSYCHOTIC LIVER: OTHER CHANGES | Oyo Yakuri. Pharmacometrics. Vol. 8, Pg. 911, 1974. |
| mouse | LD50 | subcutaneous | > 5gm/kg (5000mg/kg) | BEHAVIORAL: CHANGES IN MOTOR ACTIVITY (SPECIFIC ASSAY) LIVER: OTHER CHANGES BEHAVIORAL: ANTIPSYCHOTIC | Oyo Yakuri. Pharmacometrics. Vol. 8, Pg. 911, 1974. |
| rat | LD50 | intraperitoneal | 1460mg/kg (1460mg/kg) | BEHAVIORAL: CHANGES IN MOTOR ACTIVITY (SPECIFIC ASSAY) BEHAVIORAL: ANTIPSYCHOTIC | Oyo Yakuri. Pharmacometrics. Vol. 8, Pg. 911, 1974. |
| rat | LD50 | oral | > 10gm/kg (10000mg/kg) | BEHAVIORAL: CHANGES IN MOTOR ACTIVITY (SPECIFIC ASSAY) BEHAVIORAL: ANTIPSYCHOTIC LIVER: OTHER CHANGES | Oyo Yakuri. Pharmacometrics. Vol. 8, Pg. 911, 1974. |
| rat | LD50 | subcutaneous | > 5gm/kg (5000mg/kg) | BEHAVIORAL: CHANGES IN MOTOR ACTIVITY (SPECIFIC ASSAY) BEHAVIORAL: ANTIPSYCHOTIC LIVER: OTHER CHANGES | Oyo Yakuri. Pharmacometrics. Vol. 8, Pg. 911, 1974. |
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