Chem
J-GLOBAL ID:201807002268850131   Nikkaji number:J3.693.415H

5-[[4α-[4-[10,10-Dimethyl-3-amino-6-(iminio)-6,10-dihydro-10-silaanthracene-9-yl]-3-methylbenzoylamino]cyclohexane-1β-yl]aminocarbonyl]-2-[3-(dimethylamino)-6-(dimethyliminio)-6H-xanthene-9-yl]benzoic acid methyl ester

5-[[4α-[4-[10,10-ジメチル-3-アミノ-6-(イミニオ)-6,10-ジヒドロ-10-シラアントラセン-9-イル]-3-メチルベンゾイルアミノ]シクロヘキサン-1β-イル]アミノカルボニル]-2-[3-(ジメチルアミノ)-6-(ジメチルイミニオ)-6H-キサンテン-9-イル]安息香酸メチル
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: C55H58N4[N+]2O5Si
Molecular formula furigana: C55-H58-N6-O5-SI
Molecular weight: 911.190
InChI: InChI=1S/C55H56N6O5Si/c1-31-25-32(9-19-40(31)51-44-21-11-34(56)27-49(44)67(7,8)50-28-35(57)12-22-45(50)51)53(62)58-36-13-15-37(16-14-36)59-54(63)33-10-20-41(46(26-33)55(64)65-6)52-42-23-17-38(60(2)3)29-47(42)66-48-30-39(61(4)5)18-24-43(48)52/h9-12,17-30,36-37H,13-16H2,1-8H3,(H4-,56,57,58,59,62,63)/p+2/t36-,37-
InChI key: LUGHADMFQQMJLX-YBEWYAPJSA-P
SMILES: COC(=O)c1cc(ccc1c1c2ccc(cc2oc2cc(=[N+](C)C)ccc12)N(C)C)C(=O)N[C@H]1CC[C@@H](CC1)NC(=O)c1ccc(C2=C3C=CC(=[NH2+])C=C3[Si](C)(C)c3cc(N)ccc23)c(C)c1
Systematic name  (3):
  • 5-[[4α-[4-[10,10-ジメチル-3-アミノ-6-(イミニオ)-6,10-ジヒドロ-10-シラアントラセン-9-イル]-3-メチルベンゾイルアミノ]シクロヘキサン-1β-イル]アミノカルボニル]-2-[3-(ジメチルアミノ)-6-(ジメチルイミニオ)-6H-キサンテン-9-イル]安息香酸メチル
  • 13-アミノ-2,2-ジメチル-9-(2-メチル-4-{[(1r,4r)-4-{4-[6-(ジメチルアミノ)-3-(ジメチルイミニウミル)-3H-キサンテン-9-イル]-3-(メトキシカルボニル)ベンズアミド}シクロヘキシル]カルバモイル}フェニル)-2-シラトリシクロ[8.4.0.03,8]テトラデカ-1(14),3,6,8,10,12-ヘキサエン-5-イミニウム
  • 13-amino-2,2-dimethyl-9-(2-methyl-4-{[(1r,4r)-4-{4-[6-(dimethylamino)-3-(dimethyliminiumyl)-3H-xanthen-9-yl]-3-(methoxycarbonyl)benzamido}cyclohexyl]carbamoyl}phenyl)-2-silatricyclo[8.4.0.03,8]tetradeca-1(14),3,6,8,10,12-hexaen-5-iminium
Other name (1):
  • 5-[[4α-[4-[10,10-Dimethyl-3-amino-6-(iminio)-6,10-dihydro-10-silaanthracene-9-yl]-3-methylbenzoylamino]cyclohexane-1β-yl]aminocarbonyl]-2-[3-(dimethylamino)-6-(dimethyliminio)-6H-xanthene-9-yl]benzoic acid methyl ester
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