Chemical Properties of Thebaine (CAS 115-37-7)

Thebaine

PDF Excel Molecule Calculator
InChI
InChI=1S/C19H21NO3/c1-20-9-8-19-12-5-7-15(22-3)18(19)23-17-14(21-2)6-4-11(16(17)19)10-13(12)20/h4-7,13,18H,8-10H2,1-3H3
InChI Key
FQXXSQDCDRQNQE-UHFFFAOYSA-N
Formula
C19H21NO3
SMILES
COC1=CC=C2C3Cc4ccc(OC)c5c4C2(CCN3C)C1O5
Molecular Weight1
311.37
CAS
115-37-7
Other Names
  • Morphinan, 6,7,8,14-tetradehydro-4,5-epoxy-3,6-dimethoxy-17-methyl-, (5«alpha»)-
  • Morphinan, 6,7,8,14-tetradehydro-4,5«alpha»-epoxy-3,6-dimethoxy-17-methyl-
  • Paramorphine
  • Tebain
  • Thebain
Cheméo is a service of Céondo GmbH, since 2007, we provide simulation, modelling and software development services for the industry. Do not hesitate to contact us for your projects.

Physical Properties

Property Value Unit Source
log10WS -3.58 Crippen Calculated Property
logPoct/wat 2.425 Crippen Calculated Property
McVol 230.360 ml/mol McGowan Calculated Property
Inp [2485.00; 2559.00]   Show Hide
Inp 2559.00 NIST
Inp 2555.00 NIST
Inp 2558.00 NIST
Inp 2522.00 NIST
Inp 2550.00 NIST
Inp 2520.00 NIST
Inp 2525.00 NIST
Inp 2492.00 NIST
Inp 2485.00 NIST
Inp 2505.00 NIST
Inp 2492.00 NIST
Inp 2525.00 NIST
Inp 2517.00 NIST
Inp 2485.00 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 Thebaine.

Sources

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.