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Substance Name: Codeine sulfate anhydrous
RN: 1420-53-7
UNII: AVW5HY4N2E
InChIKey: BCXHDORHMMZBBZ-DORFAMGDSA-N

Note

  • An opioid analgesic related to MORPHINE but with less potent analgesic properties and mild sedative effects. It also acts centrally to suppress cough.

Molecular Formulas

  • C18-H21-N-O3.1/2H2-O4-S
  • C36-H42-N2-O6.O4-S

Molecular Weight

  • 696.8136
 

Classification Codes

  • Analgesics, Opioid
  • Antitussive Agents
  • Drug / Therapeutic Agent
  • Mutation Data
  • Narcotics
  • Reproductive Effect
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Names and Synonyms

Name of Substance

  • Codeine sulfate anhydrous

Synonyms

  • Codeine sulfate
  • EINECS 215-818-5
  • UNII-AVW5HY4N2E

Systematic Names

  • Codeine sulphate
  • Morphinan-6-alpha-ol, 7,8-didehydro-4,5-alpha-epoxy-3-methoxy-17-methyl-, sulfate (2:1)(salt)
  • Morphinan-6-ol, 7,8-didehydro-4,5-epoxy-3-methoxy-17-methyl-, (5alpha,6alpha)-, sulfate (2:1) (salt)

Registry Numbers

CAS Registry Number

  • 1420-53-7

FDA UNII

  • AVW5HY4N2E

System Generated Number

  • 0001420537

Molecular Formulas

Molecular Formulas

  • C18-H21-N-O3.1/2H2-O4-S
  • C36-H42-N2-O6.O4-S

Molecular Formula Fragments

  • C18-H21-N-O3
  • C36-H42-N2-O6
  • COMPONENT
  • H2-O4-S
  • O4-S

Structure Descriptors

InChI

1S/2C18H21NO3.H2O4S/c2*1-19-8-7-18-11-4-5-13(20)17(18)22-16-14(21-2)6-3-10(15(16)18)9-12(11)19;1-5(2,3)4/h2*3-6,11-13,17,20H,7-9H2,1-2H3;(H2,1,2,3,4)/t2*11-,12+,13-,17-,18-;/m00./s1

InChIKey

BCXHDORHMMZBBZ-DORFAMGDSA-N

Smiles

COc1ccc2C[C@@H]3[C@@H]4C=C[C@H](O)[C@@H]5Oc1c2[C@]45CCN3C.COc6ccc7C[C@@H]8[C@@H]9C=C[C@H](O)[C@@H]%10Oc6c7[C@]9%10CCN8C.OS(=O)(=O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 143mg/kg (143mg/kg) LUNGS, THORAX, OR RESPIRATION: OTHER CHANGES

BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD

BEHAVIORAL: ATAXIA
Journal of Pharmaceutical Sciences. Vol. 63, Pg. 451, 1974.
mouse LD50 intravenous 68mg/kg (68mg/kg)   Journal of Pharmacology and Experimental Therapeutics. Vol. 134, Pg. 332, 1961.
mouse LD50 oral 395mg/kg (395mg/kg)   Journal of Pharmacology and Experimental Therapeutics. Vol. 134, Pg. 332, 1961.
mouse LD50 subcutaneous 183mg/kg (183mg/kg)   Journal of Pharmacology and Experimental Therapeutics. Vol. 134, Pg. 332, 1961.
rat LD50 intraperitoneal 107mg/kg (107mg/kg) BEHAVIORAL: REGIDITY

BEHAVIORAL: EXCITEMENT

BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD
Toxicology. Vol. 14, Pg. 217, 1979.
rat LD50 intravenous 55mg/kg (55mg/kg)   Journal of Pharmacology and Experimental Therapeutics. Vol. 134, Pg. 332, 1961.
rat LD50 oral 430mg/kg (430mg/kg) BEHAVIORAL: ANALGESIA Archives Internationales de Pharmacodynamie et de Therapie. Vol. 123, Pg. 48, 1959.
rat LD50 subcutaneous 332mg/kg (332mg/kg)   Journal of Pharmacology and Experimental Therapeutics. Vol. 134, Pg. 332, 1961.

Physical Properties

Physical Property Value Units Temp (deg C) Source
log P (octanol-water) 1.280 (none)   EST
Water Solubility 3.20E+04 mg/L 25 EXP
Vapor Pressure 4.15E-09 mm Hg 25 EST
Henry's Law Constant 7.58E-14 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 2.43E-10 cm3/molecule-sec 25 EST

Physical property data is provided to ChemIDplus by SRC, Inc.