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Home> Hot Product Listed O   > OPREA1_241590
70415-50-8 structure

OPREA1_241590

Iupac Name:methyl 6-chloro-4-hydroxy-2-methyl-1,1-dioxothieno[2,3-e]thiazine-3-carboxylate
CAS No.:70415-50-8
Molecular Weight:309.735
Molecular Formula:C13H10N4O2 (isomer)
Names and Identifiers
Synonyms

AC1N57J0 AKOS024581533 F0539-0610 MCULE-1122195136 methyl 2-(4-((4-methylpiperidin-1-yl)sulfonyl)benzamido)-6-propyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxylate methyl 2-[[4-(4-methylpiperidin-1-yl)sulfonylbenzoyl]amino]-6-propyl-5,7-dihydro-4h-thieno[2,3-c]pyridine-3-carboxylate MOLPORT-003-022-519 ZINC11726318

Inchi
InChI=1S/C9H8ClNO5S2/c1-11-6(9(13)16-2)7(12)8-4(18(11,14)15)3-5(10)17-8/h3,12H,1-2H3
InChkey
HITUAYIBHWKKFU-UHFFFAOYSA-N
Canonical Smiles
CN1C(=C(C2=C(S1(=O)=O)C=C(S2)Cl)O)C(=O)OC
Properties
Melting Point
198-200°C
Refractive Index
1.663
Reach Info
Globally, no enterprise has officially registered the substance REACH.
Other official information: ·ECHA Information Page for CAS: 70415-50-8 EC: OPREA1_241590 ·ECHA C&L Inventory for CAS: CAS: 70415-50-8 EC: OPREA1_241590
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:309.735g/mol
  • Molecular Formula:C13H10N4O2
  • Compound Is Canonicalized:True
  • Exact Mass:308.953
  • Monoisotopic Mass:308.953
  • Complexity:512
  • Rotatable Bond Count:2
  • Hydrogen Bond Donor Count:1
  • Hydrogen Bond Acceptor Count:7
  • Topological Polar Surface Area:121A^2
  • Heavy Atom Count:18
  • Defined Atom Stereocenter Count:0
  • 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: AAADccByOABkAAAAAAAAAAAAAAAAASAAAAAgAAAAAAAAAEABgAAAHgYASAAACA6B0CYyCYIABgqM ACTSSHBDAJAgLRBAiBiICsgKJiKhMjCBUAAkwAE4uQaAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA AA==
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