Karl Eichwald, a Baltic German, having been born modern day Saint Petersburg, Russia, who was a physician and naturalist first described the Caspian cobra originally as Tomyris oxiana in 1831.

The specific epithet oxiana is derived from the word Ōxus in Latin or Ὦξος (Ôxos) in Greek,[6] and refers to the ancient name of the river Amu Darya which flows along Afghanistan`s northern border separating it from Tajikistan and Uzbekistan before turning northwest into Turkmenistan and flows from there into the southern remnants of the Aral Sea in Central Asia (Transoxiana), where this species occurs.

Highly variable coloration and size within individual species made classification difficult until the advent of genetic analysis.

The species itself appears to be genetically homogeneous despite population separation caused by the Hindu Kush mountains; this suggests a recent rapid range expansion.

[9][11] The head is elliptical, depressed, and slightly distinct from the neck, with a short, rounded snout and large nostrils.

It is found throughout Turkmenistan, Uzbekistan, Kyrgyzstan, southwestern Tajikistan, the Fergana Valley, north and east Afghanistan, northeastern Iran.

[12][11] There is also anecdotal evidence of it ranging as far north as Kazakhstan's southern border with Uzbekistan, according to Brian Hayes, a biochemical engineer with the United States Threat Reduction Agency.

[citation needed] Naja oxiana is often found in arid and semiarid, rocky or stony, shrub- or scrub-covered foothills[12] at elevations up to about 3,000 m (9,800 ft) above sea level.

This terrestrial species is mainly diurnal, but it may be crepuscular and nocturnal in some parts of its range during the hottest month (July).

[16] The Caspian Cobra feeds mostly on small mammals, amphibians, occasionally fish, birds and their eggs.

[19] A number of small nonenzymatic proteins are found in the venom, including neurotoxins and members of the cytotoxin family,[21] which have been shown to cause cell death through damage to lysosomes.

[22] In addition to nonenzymatic proteins, the venom also contains nucleases, which cause tissue damage at the site of the bite and may also potentiate systemic toxicity by releasing free purines in situ.

Two main toxins as well as a number of minor components and three basic polypeptides similar to cardiotoxins (CTXs) and cytotoxins were isolated from the crude venom of this species, with acute effects on cardiac system during the first few hours post-envenomation.

Without medical treatment, symptoms rapidly worsen and death can occur soon after a bite due to respiratory failure.

[16] As with all species of cobra, there is great variation in venom toxicity and composition based on diet and geographical location.

[31][32] In Iran, where the Caspian cobra is widespread, it is responsible for the highest number of deaths due to snakebite in the country.

Multiplying habitat suitability models of the four snakes showed that the northeast of Iran (west of Khorasan-e-Razavi province) has the highest snakebite risk in the country.

[16] Reliable figures on incidence, morbidity and mortality are limited but almost 40,000 biting cases are reported annually which result in up to 8,200 fatalities in one study.

In one survey, it was reported that out of 5,337 envenomed patients, 57% were cobra victims and the remaining rest of 35% were bitten by kraits and vipers.

Response to treatment with antivenom is generally poor among patients, so mechanical ventilation and endotracheal intubation is required.