Chem
J-GLOBAL ID：200907095919741369   Nikkaji number：J2.576.658J

3,6-Bis(carboxymethyl)-9-[[2-(1′,3′,3′-trimethyl-6-nitrospiro[2H-1-benzopyran-2,2′-indoline]-8-yl)ethoxy]carbonylmethyl]-3,6,9-triazaundecanedioic acid

3,6-ビス(カルボキシメチル)-9-[[2-(1′,3′,3′-トリメチル-6-ニトロスピロ[2H-1-ベンゾピラン-2,2′-インドリン]-8-イル)エトキシ]カルボニルメチル]-3,6,9-トリアザウンデカン二酸
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： C35H43N4[N+]O12[O-]
Molecular formula furigana： C35-H43-N5-O13
Molecular weight： 741.751
InChI： InChI=1S/C35H43N5O13/c1-34(2)26-6-4-5-7-27(26)36(3)35(34)10-8-23-16-25(40(50)51)17-24(33(23)53-35)9-15-52-32(49)22-39(21-31(47)48)14-12-37(18-28(41)42)11-13-38(19-29(43)44)20-30(45)46/h4-8,10,16-17H,9,11-15,18-22H2,1-3H3,(H,41,42)(H,43,44)(H,45,46)(H,47,48)
InChI key： BFIHEIXTJZJVBV-UHFFFAOYSA-N
SMILES： CN1c2ccccc2C(C)(C)C21Oc1c(CCOC(=O)CN(CCN(CCN(CC(=O)O)CC(=O)O)CC(=O)O)CC(=O)O)cc(cc1C=C2)[N+](=O)[O-]
Systematic name  (3)：
  • 3,6-ビス(カルボキシメチル)-9-[[2-(1′,3′,3′-トリメチル-6-ニトロスピロ[2H-1-ベンゾピラン-2,2′-インドリン]-8-イル)エトキシ]カルボニルメチル]-3,6,9-トリアザウンデカン二酸
  • 2-{[2-({2-[ビス(カルボキシメチル)アミノ]エチル}(カルボキシメチル)アミノ)エチル][2-オキソ-2-(2-{1',3',3'-トリメチル-6-ニトロ-1',3'-ジヒドロスピロ[クロメン-2,2'-インドール]-8-イル}エトキシ)エチル]アミノ}酢酸
  • 2-{[2-({2-[bis(carboxymethyl)amino]ethyl}(carboxymethyl)amino)ethyl][2-oxo-2-(2-{1',3',3'-trimethyl-6-nitro-1',3'-dihydrospiro[chromene-2,2'-indol]-8-yl}ethoxy)ethyl]amino}acetic acid
Other name (1)：
  • 3,6-Bis(carboxymethyl)-9-[[2-(1′,3′,3′-trimethyl-6-nitrospiro[2H-1-benzopyran-2,2′-indoline]-8-yl)ethoxy]carbonylmethyl]-3,6,9-triazaundecanedioic acid
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