Chemical Properties of Ergocristin (CAS 511-08-0)

Ergocristin

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InChI
InChI=1S/C35H39N5O5/c1-20(2)34(37-31(41)23-16-25-24-11-7-12-26-30(24)22(18-36-26)17-27(25)38(3)19-23)33(43)40-28(15-21-9-5-4-6-10-21)32(42)39-14-8-13-29(39)35(40,44)45-34/h4-7,9-12,16,18,20,23,27-29,36,44H,8,13-15,17,19H2,1-3H3,(H,37,41)
InChI Key
HEFIYUQVAZFDEE-UHFFFAOYSA-N
Formula
C35H39N5O5
SMILES
CC(C)C1(NC(=O)C2C=C3c4cccc5[nH]cc(c54)CC3N(C)C2)OC2(O)C3CCCN3C(=O)C(Cc3ccccc3)N2C1=O
Molecular Weight1
609.71
CAS
511-08-0
Other Names
  • Ergocristin
  • Ergocrystine
  • Ergotaman-3',6',18-trione, 12'-hydroxy-2'-(1-methylethyl)-5'-(phenylmethyl)-, (5'«alpha»)-
Sources

Physical Properties

Property Value Unit Source
logPoct/wat 2.63 Crippen Calculated Property

Similar Compounds

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

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