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Home> Hot Product Listed E   > EU-0024898
67-81-2 structure

EU-0024898

Iupac Name:(8R,9S,10R,13S,14S,17S)-3-cyclopentyloxy-10,13,17-trimethyl-1,2,7,8,9,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-17-ol
CAS No.:67-81-2
Molecular Weight:370.577
Molecular Formula:C16H10CLNOS (isomer)
Names and Identifiers
Synonyms

2-((3,6-dimethyl-4-oxo-3,4,6,7-tetrahydrothieno[3,2-d]pyrimidin-2-yl)thio)-n-(furan-2-ylmethyl)acetamide 2-[(3,6-dimethyl-4-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl)sulfanyl]-n-(furan-2-ylmethyl)acetamide AB00669799-01 AC1MRJLB AKOS024587368 F0612-0036 MCULE-4501328947 MOLPORT-003-033-587

Inchi
InChI=1S/C25H38O2/c1-23-13-10-19(27-18-6-4-5-7-18)16-17(23)8-9-20-21(23)11-14-24(2)22(20)12-15-25(24,3)26/h8,16,18,20-22,26H,4-7,9-15H2,1-3H3/t20-,21+,22+,23+,24+,25+/m1/s1
InChkey
ZUBDXGHKAAMAAA-RFXJPFPRSA-N
Canonical Smiles
CC12CCC(=CC1=CCC3C2CCC4(C3CCC4(C)O)C)OC5CCCC5
Isomers Smiles
C[C@]12CCC(=CC1=CCC3C2CC[C@]4(C3CC[C@]4(C)O)C)OC5CCCC5
Properties
Melting Point
162-168 °C(lit.)
Refractive Index
1.565
Safety and Handling
Risk Statements
45-63
Safety Statements
S26
Reach Info
Globally, no enterprise has officially registered the substance REACH.
Other official information: ·ECHA Information Page for CAS: 67-81-2 EC: EU-0024898 ·ECHA C&L Inventory for CAS: CAS: 67-81-2 EC: EU-0024898
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:370.577g/mol
  • Molecular Formula:C16H10CLNOS
  • Compound Is Canonicalized:True
  • Exact Mass:370.287
  • Monoisotopic Mass:370.287
  • Complexity:672
  • Rotatable Bond Count:2
  • Hydrogen Bond Donor Count:1
  • Hydrogen Bond Acceptor Count:2
  • Topological Polar Surface Area:29.5A^2
  • Heavy Atom Count:27
  • Defined Atom Stereocenter Count:6
  • Undefined Atom Stereocenter Count:0
  • Defined Bond Stereocenter Count:0
  • Undefined Bond Stereocenter Count:0
  • Isotope Atom Count:0
  • Covalently-Bonded Unit Count:1
  • CACTVS Substructure Key Fingerprint: AAADcfB4MAAAAAAAAAAAAAAAAAAAAYMAAAAwQIAAAAAAAGCAAAAAGgAACAAAD1SggAICAAAABgCA AiBCAAAACAAgIAAACAAAAAgIAAIAAQACQAAEgAAIgAOAwPAPgAAAAAAAAACAAAQAACAAAYAADAAA AA==
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Recommended Suppliers
  • Tel:1-631-5046093
  • Fax:1-631-6147828
  • Tel:401 848-5422
  • Fax:(401) 848-5638
  • Tel:+31 (0)20 611 31 33
  • Fax:+31 (0)20 613 75 96
 
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