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Elymoclavine

Elymoclavine structure

CAS No:
548-43-6
Formula:
C16H18N2O
Chemical Name:
Elymoclavine
Synonyms:
Ergoline-8-methanol,8,9-didehydro-6-methyl-;Elymoclavine;8,9-Didehydro-6-methylergoline-8-methanol;Elymoclavin;D-8,9-Didehydro-6-methylergoline-8-methanol;NSC 109431;15598-29-5;81604-56-0;408310-70-3;607362-31-2
Categories:
Pharmaceutical Intermediates > Bulk Drug Intermediates

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Elymoclavine Basic Attributes

Molecular Weight：

254.331

Exact Mass：

254.33

EC Number：

208-948-9

NSC Number：

109431

Characteristics

PSA：

39.3

XLogP3：

1.97820

Density：

1.247g/cm3

Melting Point：

250-252 °C

Boiling Point：

397.54°C (rough estimate)

Flash Point：

236.8ºC

Refractive Index：

1.676

Specific rotation：

D20 -59° (c = 0.1 in ethanol) (Abe); D20 -152° (c = 0.9 in pyridine) (Stoll)

Computed Properties

Molecular Weight:254.33
XLogP3:1.3
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:1
Exact Mass:254.141913202
Monoisotopic Mass:254.141913202
Topological Polar Surface Area:39.3
Heavy Atom Count:19
Complexity:394
Undefined Atom Stereocenter Count:2
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes