Chem
J-GLOBAL ID：200907023659722690   Nikkaji number：J1.708.387B

DAR-1

9-(3,4-ジアミノ-2-カルボキシフェニル)-6-(ジエチルアミノ)-N,N-ジエチル-3H-キサンテン-3-イミニウム
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： C28H33N3[N+]O3
Molecular formula furigana： C28-H33-N4-O3
Molecular weight： 473.596
InChI： InChI=1S/C28H32N4O3/c1-5-31(6-2)17-9-11-19-23(15-17)35-24-16-18(32(7-3)8-4)10-12-20(24)25(19)21-13-14-22(29)27(30)26(21)28(33)34/h9-16,29H,5-8,30H2,1-4H3,(H,33,34)/p+1
InChI key： ZTVJSUZHUIJCBF-UHFFFAOYSA-O
SMILES： CCN(CC)c1ccc2c(c3ccc(N)c(N)c3C(=O)O)c3ccc(=[N+](CC)CC)cc3oc2c1
Systematic name  (3)：
  • N,N-ジエチル-9-(2-カルボキシ-3,4-ジアミノフェニル)-6-(ジエチルアミノ)-3H-キサンテン-3-イリデンイミニウム
  • 9-(3,4-ジアミノ-2-カルボキシフェニル)-6-(ジエチルアミノ)-N,N-ジエチル-3H-キサンテン-3-イミニウム
  • 9-(3,4-diamino-2-carboxyphenyl)-6-(diethylamino)-N,N-diethyl-3H-xanthen-3-iminium
Other name (2)：
  • N,N-Diethyl-9-(2-carboxy-3,4-diaminophenyl)-6-(diethylamino)-3H-xanthene-3-ylideneiminium
  • DAR-1
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