CAS No.309-29-5,Doxapram Suppliers

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Basic Information

Molecular Structure:
CAS No.:	309-29-5
Name:	Doxapram
Article Data:	4

Formula:	C₂₄H₃₀N₂O₂
Molecular Weight:	378.514
Synonyms:	2-Pyrrolidinone,1-ethyl-4-(2-morpholinoethyl)-3,3-diphenyl- (7CI,8CI);1-Ethyl-4-(2-morpholinoethyl)-3,3-diphenyl-2-pyrrolidinone;Doxapram;
EINECS:	206-216-3
Density:	1.104 g/cm³
Boiling Point:	536.4 °C at 760 mmHg
Flash Point:	278.2 °C
PSA:	32.78000
LogP:	3.04910

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Specification

The CAS register number of Doxapram is 309-29-5. It also can be called as 2-Pyrrolidinone, 1-ethyl-4-(2-morpholinoethyl)-3,3-diphenyl- and the IUPAC name about this chemical is 1-ethyl-4-(2-morpholin-4-ylethyl)-3,3-diphenylpyrrolidin-2-one. The molecular formula about this chemical is C₂₄H₃₀N₂O₂and the molecular weight is 378.51. Classification code about this chemical are Central Nervous System Agents, Central nervous system stimulants, Drug / Therapeutic Agent, Reproductive Effect and Respiratory system agents. This chemical is a central respiratory stimulant with a brief duration of action. It can be used in intensive care settings to stimulate the respiratory rate in patients with respiratory failure.

Physical properties about Doxapram are: (1)ACD/LogP: 3.23; (2)ACD/LogD (pH 5.5): 1.15; (3)ACD/LogD (pH 7.4): 2.8; (4)ACD/BCF (pH 5.5): 1.39; (5)ACD/BCF (pH 7.4): 62.86; (6)ACD/KOC (pH 5.5): 11.27; (7)ACD/KOC (pH 7.4): 510.58; (8)#H bond acceptors: 4; (9)#Freely Rotating Bonds: 6; (10)Polar Surface Area: 32.78Å²; (11)Index of Refraction: 1.562; (12)Molar Refractivity: 111.22 cm³; (13)Molar Volume: 342.8 cm³; (14)Polarizability: 44.09x10^-24cm³; (15)Surface Tension: 41.8 dyne/cm; (16)Enthalpy of Vaporization: 81.31 kJ/mol; (17)Boiling Point: 536.4 °C at 760 mmHg; (18)Vapour Pressure: 1.4E-11 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C4N(CC)CC(CCN1CCOCC1)C4(c2ccccc2)c3ccccc3
(2)InChI: InChI=1/C24H30N2O2/c1-2-26-19-22(13-14-25-15-17-28-18-16-25)24(23(26)27,20-9-5-3-6-10-20)21-11-7-4-8-12-21/h3-12,22H,2,13-19H2,1H3
(3)InChIKey: XFDJYSQDBULQSI-UHFFFAOYAU
(4)Std. InChI: InChI=1S/C24H30N2O2/c1-2-26-19-22(13-14-25-15-17-28-18-16-25)24(23(26)27,20-9-5-3-6-10-20)21-11-7-4-8-12-21/h3-12,22H,2,13-19H2,1H3
(5)Std. InChIKey: XFDJYSQDBULQSI-UHFFFAOYSA-N

The toxicity data is as follows:

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
mouse	LD50	intraperitoneal	268mg/kg (268mg/kg)	BEHAVIORAL: ALTERED SLEEP TIME (INCLUDING CHANGE IN RIGHTING REFLEX) BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)	Journal of Pharmacy and Pharmacology. Vol. 30, Pg. 522,