Chemical Properties of Deserpidine (CAS 131-01-1)

Deserpidine

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InChI
InChI=1S/C32H38N2O8/c1-37-24-12-17(13-25(38-2)29(24)39-3)31(35)42-26-14-18-16-34-11-10-20-19-8-6-7-9-22(19)33-28(20)23(34)15-21(18)27(30(26)40-4)32(36)41-5/h6-9,12-13,18,21,23,26-27,30,33H,10-11,14-16H2,1-5H3
InChI Key
CVBMAZKKCSYWQR-UHFFFAOYSA-N
Formula
C32H38N2O8
SMILES
COC(=O)C1C2CC3c4[nH]c5ccccc5c4CCN3CC2CC(OC(=O)c2cc(OC)c(OC)c(OC)c2)C1OC
Molecular Weight1
578.65
CAS
131-01-1
Other Names
  • Yohimban-16-carboxylic acid, 17-methoxy-18-[(3,4,5-trimethoxybenzoyl)oxy]-, methyl ester, (3«beta»,16«beta»,17«alpha»,18«beta»,20«alpha»)-
  • 3«beta»,20«alpha»-Yohimban-16«beta»-carboxylic acid, 18«beta»-hydroxy-17«alpha»-methoxy-, methyl ester, 3,4,5-trimethoxybenzoate (ester)
  • Canescin
  • Canescine
  • Deserpidin
  • Harmonyl
  • Raunormin
  • Raunormine
  • Recanescin
  • Recanescine
  • Reserpidine
  • Reserpine, 11-demethoxy-
  • 11-Demethoxyreserpine
  • 11-Desmethoxyreserpine
  • Benz(g)indolo(2,3-a)quinolizine-1-carboxylic acid, 1,2,3,4,4a,5,7,8,13,13b,14,14a-dodecahydro-3-hydroxy-2-methoxy-, methyl ester, 3,4,5-trimethoxybenzoate
  • Desepridine
  • 3-«beta»,20-«alpha»-Yohimban-16-«beta»-carboxylic acid, 18-«beta»-hydroxy-17-«alpha»-methoxy-,methyl ester, 3,4,5-trimethoxybenzoate
  • A-11025
  • Deresperine
  • Desmethoxyreserpine
  • LILLY 22641
  • Raunorine
  • Tranquinil
  • Methyl 17«alpha»-methoxy-18«beta»-[(3,4,5-trimethoxybenzoyl)oxy]-3«beta»,20«alpha»-yohimban-16«beta»-carboxylate
  • Methyl 18«beta»-hydroxy-17«alpha»-methoxy-3«beta»,20«alpha»-yohimban-16«beta»-carboxylate, 3,4,5-trimethoxybenzoate (ester)
  • NSC 72138
  • Deserpidic acid, methyl ester, 3,4,5-trimethoxybenzoate
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Physical Properties

Property Value Unit Source
log10WS -6.28 Crippen Calculated Property
logPoct/wat 3.681 Crippen Calculated Property
McVol 424.800 ml/mol McGowan Calculated Property

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). Paclitaxel. Ergotaman-3',6',18-trione, 9,10-dihydro-12'-hydroxy-2'-methyl-5'-(phenylmethyl)-, (5'«alpha»,10«alpha»)-. Ergotamine. Ergocristine.

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