Chemical Compound

SCHEMBL21039958

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SCHEMBL21039958 chemical structure
Primary Record

SCHEMBL21039958

In stock
550 g
Purity
98.1 %

Compound Identifiers & Properties

PubChem CID
140924639
SMILES
C[C@H]1C/C=C/[C@@]([C@@H]2CC[C@H]2CN3C[C@@]4(CCCC5=C4C=CC(=C5)Cl)COC6=C3C=C(C=C6)C(=O)NS(=O)(=O)[C@@H]1C)(CN7CCN8CCN(C[C@@H]8C7)S(=O)(=O)C)OC
Canonical SMILES
CO[C@]1(CN2CCN3CCN(S(C)(=O)=O)C[C@@H]3C2)/C=C/C[C@H](C)[C@@H](C)S(=O)(=O)NC(=O)c2ccc3c(c2)N(C[C@@H]2CC[C@H]21)C[C@@]1(CCCc2cc(Cl)ccc21)CO3

Names & Synonyms

  • SCHEMBL21039958
  • BDBM470842
  • US10821115, Example 227
  • US10821115, Example 237
  • US10821115, Example 238
  • (1S,3''''R,6''''R,7''''R,8''''E,11''''S,12''''R)- 6-chloro-7''''-methoxy-11,12- dimethyl-7''''-(((9aR)-8- (methylsulfonyl)octahydro-2H- pyrazino[1,2-a]pyrazin-2- yl)methyl)-3,4-dihydro- 2H,15''''H-spiro[naphthalene- 1,22''''-[20]oxa[13]thia[1,14] diazatetracyclo [14.7.2.0~3,6~.0~19,24~] pentacosa[8,16,18,24]tetraen]- 15''''-one 13%13-dioxide