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Home> Encyclopedia > Hot Product Listed 5   > 5alpha-Benzyl-12-hydroxy-2-methylergotaman-3,6,18-trione maleate
36915-03-4 structure

5alpha-Benzyl-12-hydroxy-2-methylergotaman-3,6,18-trione maleate

Iupac Name:(4,4,5,5,6,6,7,7,7-nonafluoro-2-hydroxyheptyl) 2-methylprop-2-enoate
CAS No.:36915-03-4
Molecular Weight:362.192
Molecular Formula:C11H16F2N5O10P3 (isomer)
Names and Identifiers
Synonyms

5'alpha-benzyl-12'-hydroxy-2'-methylergotaman-3',6',18-trione maleate Ergotamine maleate

Inchi
InChI=1S/C11H11F9O3/c1-5(2)7(22)23-4-6(21)3-8(12,13)9(14,15)10(16,17)11(18,19)20/h6,21H,1,3-4H2,2H3
InChkey
BCTGGJURYOEMFV-UHFFFAOYSA-N
Canonical Smiles
CC(=C)C(=O)OCC(CC(C(C(C(F)(F)F)(F)F)(F)F)(F)F)O
Properties
Density
1.685
Refractive Index
1.365
Flash Point
132.3°C
HS Code
2916140000
Safety and Handling
Safety Statements
Hazard Codes F,XiHazard Note Irritant
MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

no data available

2.2 GHS label elements, including precautionary statements

Pictogram(s) no data available
Signal word

no data available

Hazard statement(s)

no data available

Precautionary statement(s)
Prevention

no data available

Response

no data available

Storage

no data available

Disposal

no data available

2.3 Other hazards which do not result in classification

no data available

Computational chemical data
  • Molecular Weight:362.192g/mol
  • Molecular Formula:C11H16F2N5O10P3
  • Compound Is Canonicalized:True
  • Exact Mass:362.056
  • Monoisotopic Mass:362.056
  • Complexity:456
  • Rotatable Bond Count:8
  • Hydrogen Bond Donor Count:1
  • Hydrogen Bond Acceptor Count:12
  • Heavy Atom Count:23
  • Defined Atom Stereocenter Count:0
  • Undefined Atom Stereocenter Count:1
  • Defined Bond Stereocenter Count:0
  • Undefined Bond Stereocenter Count:0
  • Isotope Atom Count:0
  • Covalently-Bonded Unit Count:1
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Recommended Suppliers
  • Tel:86-21-60542966
  • Fax:86-21-61916468
  • Tel:1 888 463 6346
  • Fax:(908) 359-1179
  • Tel:803 788-9494 All other calls
  • Fax:803 788-9419 All other faxes
  • Tel:+81 3 3663 7631
  • Fax:+81 3 3667 8277
  • Tel:(852) 23902293
  • Fax:+852 2789 8314
  • Tel:+86-21-54098501
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  • Fax:1-631-6147828
 
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