ROX NHS ester, pure 6- isomer , CAS No.117491-83-5

CAS: 117491-83-5 Cat. No.: R171432 Molecular Weight: 631.67 PubChem CID: 71312242

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Specifications

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

This product requires cold chain shipping. Ground and other economy services are not available.

Names and Identifiers

• Canonical Smiles: C1CC2=CC3=C(C4=C2N(C1)CCC4)OC5=C(C36C7=C(C=CC(=C7)C(=O)ON8C(=O)CCC8=O)C(=O)O6)C=C9CCCN1C9=C5CCC1
• IUPAC Name: (2,5-dioxopyrrolidin-1-yl) 1-oxospiro[2-benzofuran-3,16'-3-oxa-9,23-diazaheptacyclo[17.7.1.15,9.02,17.04,15.023,27.013,28]octacosa-1(27),2(17),4(15),5(28),13,18-hexaene]-5-carboxylate
• InChIKey: PLTIOQHKDXDXSK-UHFFFAOYSA-N
• INCHI: 1S/C37H33N3O7/c41-29-11-12-30(42)40(29)47-35(43)22-9-10-23-26(19-22)37(46-36(23)44)27-17-20-5-1-13-38-15-3-7-24(31(20)38)33(27)45-34-25-8-4-16-39-14-2-6-21(32(25)39)18-28(34)37/h9-10,17-19H,1-8,11-16H2
• PubChem CID: 71312242
• Molecular Weight: 631.67

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Benzopyrans
      • Subclass 1-benzopyrans
        • Level5 Dibenzopyrans
          • Level6 Xanthenes

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Benzopyrans
• Subclass: 1-benzopyrans
• Intermediate Tree Nodes: Dibenzopyrans
• Direct Parent: Xanthenes
• Alternative Parents: P-phthalic acid and derivatives Diarylethers Phthalides Hydroquinolines Benzofuranones Isobenzofurans Dialkylarylamines Aralkylamines Pyrrolidine-2-ones Dicarboximides Amino acids and derivatives Lactones Lactams Carboxylic acid esters Oxacyclic compounds Azacyclic compounds Carbonyl compounds Hydrocarbon derivatives Organic oxides
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Xanthene - Para_phthalic_acid - Diaryl ether - Benzofuranone - Tetrahydroquinoline - Isobenzofuranone - Phthalide - Isocoumaran - Isobenzofuran - Dialkylarylamine - Tertiary aliphatic/aromatic amine - Aralkylamine - Pyrrolidone - Benzenoid - 2-pyrrolidone - Dicarboximide - Pyrrolidine - Amino acid or derivatives - Tertiary amine - Lactone - Lactam - Carboxylic acid ester - Oxacycle - Azacycle - Carboxylic acid derivative - Ether - Hydrocarbon derivative - Amine - Organic oxygen compound - Organic oxide - Organonitrogen compound - Carbonyl group - Organic nitrogen compound - Organooxygen compound - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as xanthenes. These are polycyclic aromatic compounds containing a xanthene moiety, which consists of two benzene rings joined to each other by a pyran ring.
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y