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Secobarbital sodium

Secobarbital sodium structure

CAS No:
309-43-3
Formula:
C12H18N2O3.Na
Chemical Name:
Secobarbital sodium
Synonyms:
2,4,6(1H,3H,5H)-Pyrimidinetrione,5-(1-methylbutyl)-5-(2-propen-1-yl)-,sodium salt (1:1);Barbituric acid,5-allyl-5-(1-methylbutyl)-,sodium salt;2,4,6(1H,3H,5H)-Pyrimidinetrione,5-(1-methylbutyl)-5-(2-propenyl)-,monosodium salt;Evronal Sodium;Quinalbarbitone sodium;Secobarbital sodium;Seconal sodium;Sodium 5-allyl-5-(1-methylbutyl)barbiturate;Sodium secobarbital;Synate;Sodium Seconal;5-Allyl-5-(1-methylbutyl)barbituric acid sodium salt;5-Allyl-5-(1-methylbutyl)malonylurea sodium salt;Meballymal sodium;Bipinal sodium;Immenoctal;Imesonal;Seotal;Pramil;Sebar;Quinalspan;Sedutain;Sodium quinalbarbitone;Secobarbitone sodium;Ional sodium;(RS)-Secobarbital sodium;Seotalnatrium;Barbosec;NSC 10818;4847-61-4;51165-35-6
Categories:
Active Pharmaceutical Ingredients > Nervous System Drugs

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Secobarbital sodium Basic Attributes

Molecular Weight：

260.26

Exact Mass：

260.11400

EC Number：

206-218-4

DSSTox ID：

DTXSID20585268

Characteristics

PSA：

81.59000

XLogP3：

1.19240

Melting Point：

100ºC

Water Solubility：

H2O: soluble

Toxicity：

LD50 orally in rats: 125 mg/kg (Schafer)

Safety Information

Packing level：

III

Hazard category：

6.1(b)

Transport codes：

UN 2811 6.1/PG 3

wgk germany：

hazard class code：

23/24/25-63

safety instructions：

22-36/37/39-45

RTECS Number：

CP9800000

Marks：

GHS Classification：

|Danger|H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]|P261, P264, P270, P271, P280, P301+P310, P302+P352, P304+P340, P305+P351+P338, P311, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501|Aggregated GHS information provided by 38 companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Secobarbital sodium Use and Manufacturing

Short-acting hypnotics. The effect is faster, it can be effective 15 minutes after serving, and the duration of the effect is short, only 2-3 hours, mainly by intrahepatic metabolism, especially effective for those who have difficulty falling asleep. It is used for insomnia and anesthesia administration.

Computed Properties

Molecular Weight:261.27
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:5
Exact Mass:261.12151172
Monoisotopic Mass:261.12151172
Topological Polar Surface Area:75.3
Heavy Atom Count:18
Complexity:343
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:2
Compound Is Canonicalized:Yes