ERGOTAMININE (100 MG) (LIST CHEMICAL)

Modify Date: 2025-08-25 17:59:52

ERGOTAMININE (100 MG) (LIST CHEMICAL) Structure
ERGOTAMININE (100 MG) (LIST CHEMICAL) structure
 Common Name ERGOTAMININE (100 MG) (LIST CHEMICAL)
CAS Number 639-81-6 Molecular Weight 581.66100
Density 1.47g/cm3 Boiling Point 914.5ºC at 760 mmHg
Molecular Formula C33H35N5O5 Melting Point N/A
MSDS N/A Flash Point 506.9ºC

 Names

Name (5'α,8α)-5'-Benzyl-12'-hydroxy-2'-methyl-3',6',18-trioxoergotam

 Chemical & Physical Properties

Density 1.47g/cm3
Boiling Point 914.5ºC at 760 mmHg
Molecular Formula C33H35N5O5
Molecular Weight 581.66100
Flash Point 506.9ºC
Exact Mass 581.26400
PSA 121.70000
LogP 2.64480
Index of Refraction 1.743
InChIKey XCGSFFUVFURLIX-BRMNWJGKSA-N
SMILES CN1CC(C(=O)NC2(C)OC3(O)C4CCCN4C(=O)C(Cc4ccccc4)N3C2=O)C=C2c3cccc4[nH]cc(c34)CC21

 Safety Information

RIDADR UN 1544
Packaging Group III
Hazard Class 6.1(b)
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