Chemical Properties of Codeine (CAS 76-57-3)

Codeine

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InChI
InChI=1S/C18H21NO3/c1-19-8-7-18-11-4-5-13(20)17(18)22-16-14(21-2)6-3-10(15(16)18)9-12(11)19/h3-6,11-13,17,20H,7-9H2,1-2H3
InChI Key
OROGSEYTTFOCAN-UHFFFAOYSA-N
Formula
C18H21NO3
SMILES
COc1ccc2c3c1OC1C(O)C=CC4C(C2)N(C)CCC341
Molecular Weight1
299.36
CAS
76-57-3
Other Names
  • 7,8-Didehydro-4,5-epoxy-3-methoxy-17-ethylmorphanan-6-ol (codeine)
  • 7,8-Didehydro-4,5«alpha»-epoxy-3-methoxy-17-methyl morphinan-6«alpha»-ol
  • 7,8-Didehydro-4,5«alpha»-epoxy-3-methoxy-17-methyl morphinan-6«alpha»-ol
  • Codeine anhydrous
  • Codicept
  • Coducept
  • Methylmorphine
  • Morphinan-6-ol, 7,8-didehydro-4,5-epoxy-3-methoxy-17-methyl-, (5«alpha»,6«alpha»)-
  • Morphinan-6-ol, 7,8-didehydro-4,5-epoxy-3-methoxy-17-methyl-, (5«alpha»,6«alpha»)-
  • Morphinan-6«alpha»-ol, 7,8-didehydro-4,5«alpha»-epoxy-3-methoxy-17-methyl-
  • Morphinan-6«alpha»-ol, 7,8-didehydro-4,5«alpha»-epoxy-3-methoxy-17-methyl-
  • Morphine monomethyl ether
  • Morphine, 3-methyl ether
  • Norcodeine, N-methyl-
  • O3-Methylmorphine
  • Oprea1_828621
  • l-Codeine
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Physical Properties

Property Value Unit Source
log10WS -1.26 Aq. Sol...
logPoct/wat 1.501 Crippen Calculated Property
McVol 220.570 ml/mol McGowan Calculated Property
Inp [2348.00; 2474.40]   Show Hide
Inp 2377.00 NIST
Inp 2380.00 NIST
Inp 2382.00 NIST
Inp 2387.00 NIST
Inp 2403.00 NIST
Inp 2373.00 NIST
Inp 2410.00 NIST
Inp 2376.00 NIST
Inp 2380.00 NIST
Inp 2385.00 NIST
Inp Outlier 2474.40 NIST
Inp 2376.00 NIST
Inp 2348.00 NIST
Inp 2355.00 NIST
Inp 2348.00 NIST
Inp 2360.00 NIST
Inp 2375.00 NIST
Inp 2391.00 NIST
Inp 2376.00 NIST
Inp 2353.00 NIST
Inp 2356.00 NIST
Inp 2363.00 NIST
Inp 2376.00 NIST
Inp 2375.00 NIST
Inp 2376.00 NIST
Inp 2348.00 NIST
Inp 2355.00 NIST
Inp 2400.00 NIST
Inp 2380.00 NIST
Inp 2360.00 NIST
Inp 2360.00 NIST
Inp 2365.00 NIST
Inp 2376.00 NIST
Inp 2353.00 NIST
Inp 2385.00 NIST
Inp 2376.00 NIST
Inp 2376.00 NIST
Inp 2385.00 NIST
Inp 2377.00 NIST
Inp 2373.00 NIST
Inp Outlier 2474.40 NIST
Inp 2360.00 NIST
I [3567.00; 3567.00]   Show Hide
I 3567.00 NIST
I 3567.00 NIST

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
ΔfusH [18.28; 23.81] kJ/mol [428.20; 430.30] Show Hide
ΔfusH 18.28 kJ/mol 428.20 NIST
ΔfusH 23.81 kJ/mol 430.30 NIST

Similar Compounds

Nalmefene. Strychnine. 3-O,6-O,N-Triacetylnormorphine. Benzylmorphine. Nicocodine. Buprenorphine. Dihydroergokryptine. Crinan-11-ol, 1,2-didehydro-3-methoxy-, (3«beta»,5«alpha»,11R,13«beta»,19«alpha»)-. [2,2'-Bimorphinan]-3,3',6,6'-tetrol, 7,7',8,8'-tetradehydro-4,5:4',5'-diepoxy-17,17'-dimethyl-, (5«alpha»,6«alpha»)-(5'«alpha»,6'«alpha»)-. Morphinan-3,6-diol, 7,8-didehydro-4,5-epoxy-17-methyl- (5«alpha»,6«alpha»)-, bis(trifluoroacetate) (ester). Triazolo[4,5-d]pyrimidin-7-ol,3h-v-, 5-amino-3-(2',3'-o-isopropylidene-beta-d-ribofuranosyl)-, 5'-diphenyl phosphate (keto form). Deserpidine. Paclitaxel. Ergotaman-3',6',18-trione, 9,10-dihydro-12'-hydroxy-2'-methyl-5'-(phenylmethyl)-, (5'«alpha»,10«alpha»)-. Ergotamine.

Find more compounds similar to Codeine.

Sources

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Outlier This icon means that the value is more than 2 standard deviations away from the property mean.