Chemical Properties of Dihydroergokryptine (CAS 76190-07-3)

Dihydroergokryptine

InChI
InChI=1S/C32H43N5O5/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/h6,8-9,15,17-18,20,22,24-26,33,41H,7,10-14,16H2,1-5H3,(H,34,38)
InChI Key
PBUNVLRHZGSROC-UHFFFAOYSA-N
Formula
C32H43N5O5
SMILES
CC(C)CC1C(=O)N2CCCC2C2(O)OC(NC(=O)C3CC4c5cccc6[nH]cc(c56)CC4N(C)C3)(C(C)C)C(=O)N12
Molecular Weight1
577.71
CAS
76190-07-3
Other Names
  • Dihydroergocryptine
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Physical Properties

Property Value Unit Source
ω 1.1051 Relay (1.0) Calculated Property
ΔfG° 40.75 kJ/mol Relay (1.0-beta) Calculated Property
ΔfH°gas -856.64 kJ/mol Relay (1.0) Calculated Property
ΔvapH° 191.74 kJ/mol Relay (1.0) Calculated Property
IE 7.49 eV Relay (1.0) Calculated Property
log10WS -4.13 Relay (1.0) Calculated Property
logPoct/wat 2.039 Crippen Calculated Property
McVol 434.870 ml/mol McGowan Calculated Property
Tboil 802.55 K Relay (1.0) Calculated Property
Tc 1297.44 K Relay (1.0) Calculated Property
Tfus 451.37 K Relay (1.0) Calculated Property
Vc 1.645 m3/kmol Relay (1.0) Calculated Property

Similar Compounds

Codeine-propionyl. Nalmefene. Normorphine, N-trimethylsilyl-, bis(trimethylsilyl) ether. Ajmaline. Crinan-11-ol, 1,2-didehydro-3-methoxy-, (3«beta»,5«alpha»,11R,13«beta»,19«alpha»)-. Strychnine. Normorphine TMS. acetylepibaptifoline. Neopine. Galantamin. Deserpidine. [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»)-. 3-O,6-O,N-Triacetylnormorphine. Thymidine, 3'-O-acetyl, 5'-O-cyclotetramethylene-tertbutylsilyl. Xanthine riboside, TMS.

Find more compounds similar to Dihydroergokryptine.

Sources

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