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Doxapram

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Name

Doxapram

EINECS 206-216-3
CAS No. 309-29-5 Density 1.104 g/cm3
PSA 32.78000 LogP 3.04910
Solubility N/A Melting Point N/A
Formula C24H30N2O2 Boiling Point 536.4 °C at 760 mmHg
Molecular Weight 378.514 Flash Point 278.2 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 309-29-5 (Doxapram) Hazard Symbols N/A
Synonyms

2-Pyrrolidinone,1-ethyl-4-(2-morpholinoethyl)-3,3-diphenyl- (7CI,8CI);1-Ethyl-4-(2-morpholinoethyl)-3,3-diphenyl-2-pyrrolidinone;Doxapram;

Article Data 4

Doxapram 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 C24H30N2O2 and 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,

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