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Dihydroergocristine

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Dihydroergocristine / CAS : 17479-19-5

Appearance solid UN -
HS 29396900 DG Class -
Synonyms Ergocristine,9,10-Dihydro; Ergocristine,Dihydro; Dihydroergocristin; Dhec; Unii-05D48Lum4Z
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Properties

Summary

Formula
C35H41N5O5
Molecular Mass
611.73100
Exact Mass
611.31100
PSA
121.70000
Logp
3.37120
IUPAC
(6aR,9R,10aR)-N-[(1S,2S,4R,7S)-7-benzyl-2-hydroxy-5,8-dioxo-4-propan-2-yl-3-oxa-6,9-diazatricyclo[7.3.0.02,6]dodecan-4-yl]-7-methyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide
SMILES
CC(C)[C@@]1(C(=O)N2[C@H](C(=O)N3CCC[C@H]3[C@@]2(O1)O)CC4=CC=CC=C4)NC(=O)[C@@H]5C[C@H]6[C@@H](CC7=CNC8=CC=CC6=C78)N(C5)C

Attribute classification

Matter Classification
organic
Category
API & Intermediate > Pharmaceutical Raw Materials
API & Intermediate > Pharmaceutical Intermediates

Chemical and Physical Properties

Melting Point
199℃
Density
1.41g/cm3
Boiling Point
899.3ºC
Flash Point
497.7ºC
Appearance
solid
Acidity and Basicity
acidness

Export information

HS Code
29396900
Export Rebate
13%

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