Chemical Properties of Ergotaman-3',6',18-trione, 12'-hydroxy-2'-(1-methylethyl)-5'-(2-methylpropyl)-, (5'«alpha»)- (CAS 511-09-1)

Ergotaman-3',6',18-trione, 12'-hydroxy-2'-(1-methylethyl)-5'-(2-methylpropyl)-, (5'«alpha»)-

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InChI
InChI=1S/C32H41N5O5/c1-17(2)12-25-29(39)36-11-7-10-26(36)32(41)37(25)30(40)31(42-32,18(3)4)34-28(38)20-13-22-21-8-6-9-23-27(21)19(15-33-23)14-24(22)35(5)16-20/h6,8-9,13,15,17-18,20,24-26,33,41H,7,10-12,14,16H2,1-5H3,(H,34,38)
InChI Key
YDOTUXAWKBPQJW-UHFFFAOYSA-N
Formula
C32H41N5O5
SMILES
CC(C)CC1C(=O)N2CCCC2C2(O)OC(NC(=O)C3C=C4c5cccc6[nH]cc(c65)CC4N(C)C3)(C(C)C)C(=O)N12
Molecular Weight1
575.70
CAS
511-09-1
Other Names
  • (5'«alpha»)-12'-Hydroxy-2'-(1-methylethyl)-5'-(2-methylpropyl)ergotaman-3',6',18-trione
  • 12'-Hydroxy-2'-(1-methylethyl)-5'-«alpha»-(2-methylpropyl)ergotaman-3',6',18-trione
  • 12'-hydroxy-5'«alpha»-isobutyl-2'-isopropylergotaman-3',6',18-trione
  • Ergocryptine
  • Ergokryptine
  • «alpha»-Ergocryptine
  • «alpha»-Ergokryptine
Sources

Physical Properties

Property Value Unit Source
logPoct/wat 2.43 Crippen Calculated Property

Similar Compounds

Ergocristin. ERGOTAMINE. DIHYDROERGOKRYPTINE. DIHYDROERGOTAMINE. Ergotamine, dihydro, methanesulfonate (salt). Chlortetracycline hydrochloride. Thebaine. Cyanocobalamin. Heptafluorobutyryl-codeine. Nalmefene, bis(trifluoroacetate). Octaethyl-porphyrin, Si-(OTBDMS)2-derivative. Brucine. 3-O,6-O,N-Triacetylnormorphine. AJMALINE, M(NOR-), AC. Tetracycline hydrochloride.

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