Chemical Properties of DIHYDROERGOTAMINE

DIHYDROERGOTAMINE

InChI
InChI=1S/C33H37N5O5/c1-32(35-29(39)21-15-23-22-10-6-11-24-28(22)20(17-34-24)16-25(23)36(2)18-21)31(41)38-26(14-19-8-4-3-5-9-19)30(40)37-13-7-12-27(37)33(38,42)43-32/h3-6,8-11,17,21,23,25-27,34,42H,7,12-16,18H2,1-2H3,(H,35,39)
InChI Key
LUZRJRNZXALNLM-UHFFFAOYSA-N
Formula
C33H37N5O5
SMILES
CN1CC(C(=O)NC2(C)OC3(O)C4CCCN4C(=O)C(Cc4ccccc4)N3C2=O)CC2c3cccc4[nH]cc(c34)CC21
Molecular Weight1
583.69
Other Names
  • Dihydroergotamine
  • Dehydroergotamine
  • DHE 45
  • Dihydroegotamine
  • Ergotamine, 9,10-dihydro-
  • 9,10-Dihydro-12'-hydroxy-2'-methyl-5'-(phenylmethyl)ergotoman-3',6',18-trione
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Physical Properties

Property Value Unit Source
logPoct/wat 1.599 Crippen Calculated Property
McVol 425.200 ml/mol McGowan Calculated Property

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Similar Compounds

Nalmefene. Strychnine. Dehydrojaconine. ERGOTAMINE. DIHYDROERGOKRYPTINE. 3-O,6-O,N-Triacetylnormorphine. Xanthine riboside, TMS. Diacetylmorphine. 9H-Purine, 9-[2-deoxy-3-O-(trimethylsilyl)-«beta»-D-erythro-pentofuranosyl]-6-(trimethylsiloxy)-2-[(trimethylsilyl)amino]-, 5'-[bis(trimethylsilyl) phospate]. Ergocristine. Triazolo[4,5-d]pyrimidin-7-ol,3h-v-, 5-amino-3-(2',3'-o-isopropylidene-beta-d-ribofuranosyl)-, 5'-diphenyl phosphate (keto form). Crinan-11-ol, 1,2-didehydro-3-methoxy-, (3«beta»,5«alpha»,11R,13«beta»,19«alpha»)-. Benzylmorphine. OXYCOLCHICINE. Guanosine, N-trimethylsilyl-, 2',3',5'-tris(trimethylsilyl) ether.

Find more compounds similar to DIHYDROERGOTAMINE.

Sources

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