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Bromerguride

Bromerguride structure

CAS No:
83455-48-5
Formula:
C20H25BrN4O
Chemical Name:
Bromerguride
Synonyms:
2-bromolisuride;bromerguride;bromolisuride;bromuride;Bromerguridum [Latin];UNII-HX58M2377W;HX58M2377W;3-(2-Bromo-9,10-didehydro-6-methylergolin-8alpha-yl)-1,1-diethylurea;Bromergurida
Categories:
Pharmaceutical Intermediates > Bulk Drug Intermediates

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Bromerguride Basic Attributes

Molecular Weight：

417.349

Exact Mass：

416.12100

UNII：

HX58M2377W

DSSTox ID：

DTXSID70232356

Characteristics

PSA：

51.4

XLogP3：

3.93270

Density：

1.45g/cm3

Boiling Point：

641.4ºC at 760 mmHg

Flash Point：

341.7ºC

Refractive Index：

1.683

Drug Information

MeSH Entry Terms：

2-bromolisuride

Computed Properties

Molecular Weight:417.3
XLogP3:3.7
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:3
Exact Mass:416.12117
Monoisotopic Mass:416.12117
Topological Polar Surface Area:51.4
Heavy Atom Count:26
Complexity:578
Defined Atom Stereocenter Count:2
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes