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

DIHYDROERGOKRYPTINE

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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(c65)CC4N(C)C3)(C(C)C)C(=O)N12
Molecular Weight1
577.71
CAS
76190-07-3
Other Names
  • Dihydroergocryptine
Sources

Physical Properties

Property Value Unit Source
logPoct/wat 2.52 Crippen Calculated Property

Similar Compounds

Ergotamine, dihydro, methanesulfonate (salt). DIHYDROERGOTAMINE. Ergocristin. Ergotaman-3',6',18-trione, 12'-hydroxy-2'-(1-methylethyl)-5'-(2-methylpropyl)-, (5'«alpha»)-. ERGOTAMINE. Thebaine. Chlortetracycline hydrochloride. Cyanocobalamin. Nalmefene, bis(trifluoroacetate). Heptafluorobutyryl-codeine. Brucine. Octaethyl-porphyrin, Si-(OTBDMS)2-derivative. 3-O,6-O,N-Triacetylnormorphine. Etorphine. AJMALINE, M(NOR-), AC.

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