Henagliflozin , Sodium/glucose cotransporter 2 inhibitor, CAS No.1358579-22-2, Sodium/glucose cotransporter 2 inhibitor

CAS: 1358579-22-2 Cat. No.: H671229 Molecular Weight: 454.9 PubChem CID: 56832738

Synonyms

Henagliflozin | AKOS040752005 | BETA.-D-GLUCOPYRANOSE, 1,6-ANHYDRO-1-C-(4-CHLORO-3-((4-ETHOXY-3-FLUOROPHENYL)METHYL)PHENYL)-5-C-(HYDROXYMETHYL)- | HENAGLIFLOZIN [WHO-DD] | SHR-3824 | HY-123011 | starbld0041053 | (1R,2S,3S,4R,5R)-5-(4-chloro-3-(4-ethoxy-3-

Storage

Room temperature

Specifications

Synonyms

Henagliflozin | AKOS040752005 | BETA.-D-GLUCOPYRANOSE, 1, 6-ANHYDRO-1-C-(4-CHLORO-3-((4-ETHOXY-3-FLUOROPHENYL)METHYL)PHENYL)-5-C-(HYDROXYMETHYL)- | HENAGLIFLOZIN [WHO-DD] | SHR-3824 | HY-123011 | starbld0041053 | (1R, 2S, 3S, 4R, 5R)-5-(4-chloro-3-(4-ethoxy-3-

Storage

Room temperature

Action Type

INHIBITOR

Mechanism of action

Sodium/glucose cotransporter 2 inhibitor

Product Properties

• ALogP: 1.8

Names and Identifiers

• Canonical Smiles: CCOC1=C(C=C(C=C1)CC2=C(C=CC(=C2)C34C(C(C(C(O3)(CO4)CO)O)O)O)Cl)F
• IUPAC Name: (1R,2S,3S,4R,5R)-5-[4-chloro-3-[(4-ethoxy-3-fluorophenyl)methyl]phenyl]-1-(hydroxymethyl)-6,8-dioxabicyclo[3.2.1]octane-2,3,4-triol
• InChIKey: HYTPDMFFHVZBOR-VNXMGFANSA-N
• INCHI: 1S/C22H24ClFO7/c1-2-29-17-6-3-12(8-16(17)24)7-13-9-14(4-5-15(13)23)22-20(28)18(26)19(27)21(10-25,31-22)11-30-22/h3-6,8-9,18-20,25-28H,2,7,10-11H2,1H3/t18-,19-,20+,21+,22+/m0/s1
• Isomeric SMILES: CCOC1=C(C=C(C=C1)CC2=C(C=CC(=C2)[C@]34[C@@H]([C@H]([C@@H]([C@](O3)(CO4)CO)O)O)O)Cl)F
• PubChem CID: 56832738
• Molecular Weight: 454.9

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Class Benzene and substituted derivatives
      • Subclass Diphenylmethanes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Benzene and substituted derivatives
• Subclass: Diphenylmethanes
• Intermediate Tree Nodes: Not available
• Direct Parent: Diphenylmethanes
• Alternative Parents: Phenol ethers Phenoxy compounds Alkyl aryl ethers Chlorobenzenes Fluorobenzenes Ketals Oxepanes Monosaccharides Aryl fluorides Aryl chlorides Oxanes 1,3-dioxolanes Secondary alcohols Oxacyclic compounds Polyols Organofluorides Organochlorides Hydrocarbon derivatives Primary alcohols
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Diphenylmethane - Phenoxy compound - Phenol ether - Fluorobenzene - Halobenzene - Chlorobenzene - Oxepane - Ketal - Alkyl aryl ether - Monosaccharide - Oxane - Aryl chloride - Aryl fluoride - Aryl halide - Meta-dioxolane - Secondary alcohol - Ether - Polyol - Organoheterocyclic compound - Oxacycle - Acetal - Organic oxygen compound - Organohalogen compound - Organochloride - Organofluoride - Organooxygen compound - Primary alcohol - Alcohol - Hydrocarbon derivative - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as diphenylmethanes. These are compounds containing a diphenylmethane moiety, which consists of a methane wherein two hydrogen atoms are replaced by two phenyl groups.
• 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