Chemical Compound

(1S,3''''R,6''''R,7''''S,8''''E,11''''S,12''''R)- 6-chloro-7''''-(((9aR)-8,8- difluorooctahydro-2H- pyrido[1,2-a]pyrazin-2- yl)methyl)-7''''-methoxy-11,12- dimethyl-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

(1S,3''''R,6''''R,7''''S,8''''E,11''''S,12''''R)- 6-chloro-7''''-(((9aR)-8,8- difluorooctahydro-2H- pyrido[1,2-a]pyrazin-2- yl)methyl)-7''''-methoxy-11,12- dimethyl-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 结构式
Primary record

(1S,3''''R,6''''R,7''''S,8''''E,11''''S,12''''R)- 6-chloro-7''''-(((9aR)-8,8- difluorooctahydro-2H- pyrido[1,2-a]pyrazin-2- yl)methyl)-7''''-methoxy-11,12- dimethyl-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

库存
550 克
纯度
98.1 %

化合物标识与属性

PubChem CID
140924459
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)(CN7CCN8CCC(C[C@@H]8C7)(F)F)OC
Canonical SMILES
CO[C@@]1(CN2CCN3CCC(F)(F)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

名称与同义词

  • SCHEMBL21038723
  • LITSQQCUCQITLO-BXKSHFTKSA-N
  • US10821115, Example 273
  • BDBM470888
  • US10821115, Example 288
  • US10821115, Example 289
  • (1S,3''''R,6''''R,7''''S,8''''E,11''''S,12''''R)- 6-chloro-7''''-(((9aR)-8,8- difluorooctahydro-2H- pyrido[1,2-a]pyrazin-2- yl)methyl)-7''''-methoxy-11,12- dimethyl-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