Chemical Properties of Chanoclavine (CAS 2390-99-0)

Chanoclavine

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InChI
InChI=1S/C16H20N2O/c1-10(9-19)6-13-12-4-3-5-14-16(12)11(8-18-14)7-15(13)17-2/h3-6,8,13,15,17-19H,7,9H2,1-2H3/b10-6+
InChI Key
SAHHMCVYMGARBT-UXBLZVDNSA-N
Formula
C16H20N2O
SMILES
CNC1Cc2c[nH]c3cccc(c23)C1C=C(C)CO
Molecular Weight1
256.34
CAS
2390-99-0
Other Names
  • 2-Propen-1-ol, 2-methyl-3-[1,3,4,5-tetrahydro-4-(methylamino)benz[cd]indol-5-yl]-, [4R-[4«alpha»,5«beta»(E)]]-
  • 6,7-Secoergoline-8-methanol, 8,9-didehydro-6-methyl-, (E)-
  • Chanoclavin-I
  • Chanoclavine I
  • Secaclavin
  • Secaclavine
  • Benz[cd]indole, 2-propen-1-ol deriv.
  • 2-Propen-1-ol, 2-methyl-3-[1,3,4,5-tetrahydro-4«beta»-(methylamino)benz[cd]indol-5«alpha»-yl]-
  • 2-Methyl-3-[4-(methylamino)-1,3,4,5-tetrahydrobenzo[cd]indol-5-yl]-2-propen-1-ol-, (4R-(4alpha,5beta (E)))-
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Physical Properties

Property Value Unit Source
log10WS -4.05 Crippen Calculated Property
logPoct/wat 1.852 Crippen Calculated Property
McVol 208.050 ml/mol McGowan Calculated Property
Inp [2552.90; 2552.90]   Show Hide
Inp 2552.90 NIST
Inp 2552.90 NIST

Similar Compounds

Ergoline-8-methanol, 8,9-didehydro-6-methyl-. (2-Hydroxy-3-phenyl-1,2-dihydroquinoxalin-1-yl)phenyl(3-phenyl-1-benzyl-1,2-dihydroquinoxalin-2-yl)methane. Ethylmorphine, trimethylsilyl ether. Buprenorphine. Paclitaxel. 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. Dihydroergokryptine. Ergotaman-3',6',18-trione, 9,10-dihydro-12'-hydroxy-2'-methyl-5'-(phenylmethyl)-, (5'«alpha»,10«alpha»)-. Ergotamine. Ergocristine. Codeine-propionyl.

Find more compounds similar to Chanoclavine.

Sources

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