CAS No.51410-30-1,1-HYDROXY-5-OXO-5H-PYRIDO[3,2-A]PHENOXAZINE-3-CARBOXYLIC ACID MONOSODIUM SALT Suppliers

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Basic Information

Molecular Structure:
CAS No.:	51410-30-1
Name:	1-HYDROXY-5-OXO-5H-PYRIDO[3,2-A]PHENOXAZINE-3-CARBOXYLIC ACID MONOSODIUM SALT

Formula:	C₁₆H₇N₂NaO₅
Molecular Weight:	330.2269
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;
EINECS:	257-181-6
Density:	1.7g/cm3
Boiling Point:	515.8 °C at 760 mmHg
Flash Point:	265.7 °C
PSA:	116.35000
LogP:	0.91010

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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.