Chemical Properties of Isooctylhydrocupreine (CAS 130-87-0)

Isooctylhydrocupreine

PDF Excel Molecule Calculator
InChI
InChI=1S/C27H40N2O2/c1-4-20-18-29-14-12-21(20)16-26(29)27(30)23-11-13-28-25-10-9-22(17-24(23)25)31-15-7-5-6-8-19(2)3/h9-11,13,17,19-21,26-27,30H,4-8,12,14-16,18H2,1-3H3
InChI Key
DIOGDSVVUWNLHM-UHFFFAOYSA-N
Formula
C27H40N2O2
SMILES
CCC1CN2CCC1CC2C(O)c1ccnc2ccc(OCCCCCC(C)C)cc12
Molecular Weight1
424.62
CAS
130-87-0
Other Names
  • (8«alpha»,9R)-10,11-dihydro-6'-[(6-methylheptyl)oxy]cinchonan-9-ol
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 -7.71 Crippen Calculated Property
logPoct/wat 5.984 Crippen Calculated Property
McVol 358.050 ml/mol McGowan Calculated Property
Inp 3103.00 NIST

Similar Compounds

Hydroquinidine. Cinchonan-9-ol, 10,11-dihydro-6'-methoxy-, (8«alpha»,9R)-. Quinidine. Quinine. hydrocinchonine. Triazolo[4,5-d]pyrimidin-7-ol,3h-v-, 5-amino-3-(2',3'-o-isopropylidene-beta-d-ribofuranosyl)-, 5'-diphenyl phosphate (keto form). Etorphine. Deserpidine. Paclitaxel. Ergotaman-3',6',18-trione, 9,10-dihydro-12'-hydroxy-2'-methyl-5'-(phenylmethyl)-, (5'«alpha»,10«alpha»)-. Ergotamine. Ergocristine. Codeine-propionyl. Hydromorphone, tert-butyldimethylsilyl ether. Ajmaline.

Find more compounds similar to Isooctylhydrocupreine.

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.