Sauristolactam - ≥98% , CAS No.128533-02-8

CAS: 128533-02-8 Cat. No.: S768295 PubChem CID: 131002

GRADE & PURITY ≥98%

Storage

Store at 2-8°C,Desiccated

Shipped In

Wet ice

Specifications

Specifications & Purity

≥98%

Storage

Store at 2-8°C, Desiccated

Shipped In

Wet ice

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

Purity

≥98%

Names and Identifiers

• Canonical Smiles: CN1C2=CC3=CC=CC=C3C4=C2C(=CC(=C4OC)O)C1=O
• IUPAC Name: 14-hydroxy-15-methoxy-10-methyl-10-azatetracyclo[7.6.1.02,7.012,16]hexadeca-1(16),2,4,6,8,12,14-heptaen-11-one
• InChIKey: WRFZNTLPRUIGKH-UHFFFAOYSA-N
• INCHI: 1S/C17H13NO3/c1-18-12-7-9-5-3-4-6-10(9)15-14(12)11(17(18)20)8-13(19)16(15)21-2/h3-8,19H,1-2H3
• Isomeric SMILES: CN1C2=CC3=CC=CC=C3C4=C2C(=CC(=C4OC)O)C1=O
• Alternate CAS: 128533-02-8
• PubChem CID: 131002
• MeSH Entry Terms: sauristolactam

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Alkaloids and derivatives
    • Class Aristolactams

• Kingdom: Organic compounds
• Superclass: Alkaloids and derivatives
• Class: Aristolactams
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Aristolactams
• Alternative Parents: Phenanthrols Naphthols and derivatives Isoindolones N-alkylindoles Isoindoles Indoles Anisoles Alkyl aryl ethers 1-hydroxy-2-unsubstituted benzenoids N-methylpyrroles Heteroaromatic compounds Lactams Azacyclic compounds Organopnictogen compounds Hydrocarbon derivatives Organic oxides Organonitrogen compounds
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Aristolactam - Phenanthrol - Phenanthrene - 2-naphthol - Naphthalene - Isoindolone - N-alkylindole - Indole - Indole or derivatives - Isoindole or derivatives - Isoindole - Anisole - Alkyl aryl ether - 1-hydroxy-2-unsubstituted benzenoid - Substituted pyrrole - N-methylpyrrole - Benzenoid - Pyrrole - Heteroaromatic compound - Lactam - Ether - Azacycle - Organoheterocyclic compound - Organic oxygen compound - Hydrocarbon derivative - Organic oxide - Organic nitrogen compound - Organopnictogen compound - Organooxygen compound - Organonitrogen compound - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as aristolactams. These are phenanthrenic compounds containing a five-membered lactam ring and a 1,3-dioxolane ring fused to the phenanthrene ring system.
• 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

Chemical and Physical Properties

• Molecular Weight: 279.290 g/mol
• XLogP3: 3.100
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 279.09 Da
• Monoisotopic Mass: 279.09 Da
• Topological Polar Surface Area: 49.800 Ų
• Heavy Atom Count: 21
• Formal Charge: 0
• Complexity: 440.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1