Nizofenone fumarate supplier | CasNO.54533-86-7

Name
Nizofenone
EINECS
CAS No. 54533-86-7
Density
Solubility
Melting Point 157-158℃
Formula C₂₅H₂₅ClN₄O₇
Boiling Point 609.7 °C at 760 mmHg
Molecular Weight 528.949
Flash Point 322.5 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Nizofenone Fumarate
PSA 83.95000
LogP 5.02990

Nizofenone fumarate Specification

The Nizofenone fumarate, with the CAS registry number 54533-86-7, is also known as NSC 315856. This chemical's molecular formula is C₂₅H₂₅ClN₄O₇ and molecular weight is 528.141177. Its IUPAC name is called (E)-but-2-enedioic acid; (2-chlorophenyl)-[2-[2-(diethylaminomethyl)imidazol-1-yl]-5-nitrophenyl]methanone. This chemical's classification codes are Drug / Therapeutic Agent and Reproductive Effect.

Physical properties of Nizofenone fumarate: (1)ACD/LogP: 4.25; (2)ACD/LogD (pH 5.5): 1.43; (3)ACD/LogD (pH 7.4): 2.98; (4)ACD/BCF (pH 5.5): 1.5; (5)ACD/BCF (pH 7.4): 54.35; (6)ACD/KOC (pH 5.5): 7.35; (7)ACD/KOC (pH 7.4): 266.02; (8)#H bond acceptors: 7; (9)#Freely Rotating Bonds: 8 ; (10)Flash Point: 322.5 °C; (11)Enthalpy of Vaporization: 90.56 kJ/mol; (12)Boiling Point: 609.7 °C at 760 mmHg; (13)Vapour Pressure: 8.3E-15 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O)\C=C\C(=O)O.Clc1ccccc1C(=O)c3cc([N+]([O-])=O)ccc3n2ccnc2CN(CC)CC
(2)InChI: InChI=1/C21H21ClN4O3.C4H4O4/c1-3-24(4-2)14-20-23-11-12-25(20)19-10-9-15(26(28)29)13-17(19)21(27)16-7-5-6-8-18(16)22;5-3(6)1-2-4(7)8/h5-13H,3-4,14H2,1-2H3;1-2H,(H,5,6)(H,7,8)/b;2-1+
(3)InChIKey: JDQAUUIBFFFOOV-WLHGVMLRBG

The toxicity data is as follows:

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
mouse	LD50	intraperitoneal	220mg/kg (220mg/kg)		Archives Internationales de Pharmacodynamie et de Therapie. Vol. 233, Pg. 136, 1978.
mouse	LD50	intravenous	62mg/kg (62mg/kg)	SENSE ORGANS AND SPECIAL SENSES: MYDRIASIS (PUPILLARY DILATION): EYE SENSE ORGANS AND SPECIAL SENSES: LACRIMATION: EYE BEHAVIORAL: ATAXIA	Oyo Yakuri. Pharmacometrics. Vol. 30, Pg. 627, 1985.
mouse	LD50	oral	495mg/kg (495mg/kg)	SENSE ORGANS AND SPECIAL SENSES: LACRIMATION: EYE BEHAVIORAL: ALTERED SLEEP TIME (INCLUDING CHANGE IN RIGHTING REFLEX) BEHAVIORAL: ATAXIA	Oyo Yakuri. Pharmacometrics. Vol. 30, Pg. 627, 1985.
mouse	LD50	subcutaneous	270mg/kg (270mg/kg)	LIVER: OTHER CHANGES SKIN AND APPENDAGES (SKIN): HAIR: OTHER	Oyo Yakuri. Pharmacometrics. Vol. 30, Pg. 627, 1985.
rat	LD50	intraperitoneal	300mg/kg (300mg/kg)		Archives Internationales de Pharmacodynamie et de Therapie. Vol. 233, Pg. 136, 1978.
rat	LD50	intravenous	63mg/kg (63mg/kg)	SENSE ORGANS AND SPECIAL SENSES: MYDRIASIS (PUPILLARY DILATION): EYE SENSE ORGANS AND SPECIAL SENSES: LACRIMATION: EYE BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)	Oyo Yakuri. Pharmacometrics. Vol. 30, Pg. 627, 1985.
rat	LD50	oral	1580mg/kg (1580mg/kg)	LIVER: OTHER CHANGES SKIN AND APPENDAGES (SKIN): HAIR: OTHER	Oyo Yakuri. Pharmacometrics. Vol. 30, Pg. 627, 1985.
rat	LD50	subcutaneous	1629mg/kg (1629mg/kg)	LIVER: OTHER CHANGES	Oyo Yakuri. Pharmacometrics. Vol. 30, Pg. 627, 1985.

Product Name

Nizofenone

Nizofenone fumarate Specification

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