Chemical Compound
(1S,3''''R,6''''R,7''''S,8''''E,11''''S,12''''R)- 6-chloro-7''''-methoxy-11'''',12''''- dimethyl-7''''-(((9aR)-8-(3- (phenylsulfonyl)propanoyl) 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
Primary record
(1S,3''''R,6''''R,7''''S,8''''E,11''''S,12''''R)- 6-chloro-7''''-methoxy-11'''',12''''- dimethyl-7''''-(((9aR)-8-(3- (phenylsulfonyl)propanoyl) 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
- 库存
- 550 克
- 纯度
- 98.1 %
化合物标识与属性
- PubChem CID
- 140924887
- 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)C(=O)CCS(=O)(=O)C9=CC=CC=C9)OC
- Canonical SMILES
- CO[C@@]1(CN2CCN3CCN(C(=O)CCS(=O)(=O)c4ccccc4)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
- SCHEMBL21039970
- SCHEMBL30045465
- BDBM470848
- US10821115, Example 233
- US10821115, Example 294
- (1S,3''''R,6''''R,7''''S,8''''E,11''''S,12''''R)- 6-chloro-7''''-methoxy-11'''',12''''- dimethyl-7''''-(((9aR)-8-(3- (phenylsulfonyl)propanoyl) 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