Chem
J-GLOBAL ID：200907034074980904   Nikkaji number：J751.181G

LY-333531

LY-333531
Substance type：
Substance type
Substance type classified into 3 categories.
Decided structure: Substances with a clear structure
Undicided Structure: Substances with unknown or undetermined structure
Mixtures: Mixtures, racemic compounds, or compounds with relative structural arrangements
Decided structure
Molecular formula： C28H28N4O3
Molecular formula furigana： C28-H28-N4-O3
Molecular weight： 468.557
InChI： InChI=1S/C28H28N4O3/c1-30(2)15-18-11-12-31-16-21(19-7-3-5-9-23(19)31)25-26(28(34)29-27(25)33)22-17-32(13-14-35-18)24-10-6-4-8-20(22)24/h3-10,16-18H,11-15H2,1-2H3,(H,29,33,34)/t18-/m0/s1
InChI key： ZCBUQCWBWNUWSU-SFHVURJKSA-N
SMILES： CN(C)C[C@@H]1CCn2cc(C3=C(C(=O)NC3=O)c3cn(CCO1)c1ccccc31)c1ccccc21
Systematic name  (5)：
  • (16S)-N,N-ジメチル-4,7:13,10-ジメテノ-5,6:11,12-ビス(2-ブテン-1,4-ジイリデン)-8,9-(イミノビスカルボニル)-1-オキサ-4,13-ジアザシクロヘキサデカ-8-エン-16-メタンアミン
  • 3,4-[[(S)-3-オキサ-4-[(ジメチルアミノ)メチル]ヘキサン-1,6-ジイル]ビス(1H-インドール-1,3-ジイル)]-1H-ピロール-2,5-ジオン
  • 3,4-[[(S)-3-オキサ-4-[(ジメチルアミノ)メチル]ヘキサン-1,6-ジイル]ビス(1H-インドール-1,3-ジイル)]-3-ピロリン-2,5-ジオン
  • (18S)-18-[(ジメチルアミノ)メチル]-17-オキサ-4,14,21-トリアザヘキサシクロ[19.6.1.17,14.02,6.08,13.022,27]ノナコサ-1(28),2(6),7(29),8,10,12,22,24,26-ノナエン-3,5-ジオン
  • (18S)-18-[(dimethylamino)methyl]-17-oxa-4,14,21-triazahexacyclo[19.6.1.17,14.02,6.08,13.022,27]nonacosa-1(28),2(6),7(29),8,10,12,22,24,26-nonaene-3,5-dione
Other name (6)：
  • LY-333531
  • (16S)-N,N-Dimethyl-4,7:13,10-dimetheno-5,6:11,12-bis(2-butene-1,4-diylidene)-8,9-(iminobiscarbonyl)-1-oxa-4,13-diazacyclohexadeca-8-ene-16-methanamine
  • 3,4-[[(S)-3-Oxa-4-[(dimethylamino)methyl]hexane-1,6-diyl]bis(1H-indole-1,3-diyl)]-1H-pyrrole-2,5-dione
  • 3,4-[[(S)-3-Oxa-4-[(dimethylamino)methyl]hexane-1,6-diyl]bis(1H-indole-1,3-diyl)]-3-pyrroline-2,5-dione
  • ルボキシスタウリン
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CAS registry number： 169939-94-0
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