Name: Name:XEN907
Brand: Angene
SKU: AG00GUBP
Rating: 90 (10 reviews)

XEN907

CAS No.:

912656-34-9

Catalog Number:

AG00GUBP

Molecular Formula:

C21H21NO4

Molecular Weight:

351.3957

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Purity

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Product Description

Catalog Number:

AG00GUBP

Chemical Name:

XEN907

CAS Number:

912656-34-9

Molecular Formula:

C21H21NO4

Molecular Weight:

351.3957

MDL Number:

MFCD25371548

IUPAC Name:

1'-pentylspiro[6H-furo[2,3-f][1,3]benzodioxole-7,3'-indole]-2'-one

InChI:

InChI=1S/C21H21NO4/c1-2-3-6-9-22-16-8-5-4-7-14(16)21(20(22)23)12-24-17-11-19-18(10-15(17)21)25-13-26-19/h4-5,7-8,10-11H,2-3,6,9,12-13H2,1H3

InChI Key:

PHMRUZIIERITEP-UHFFFAOYSA-N

SMILES:

CCCCCN1c2ccccc2C2(C1=O)COc1c2cc2OCOc2c1

Properties

Complexity:

554

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

351.147g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

351.402g/mol

Monoisotopic Mass:

351.147g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

48A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

3.8

Literature

Title	Journal
Discovery of XEN907, a spirooxindole blocker of NaV1.7 for the treatment of pain.	Bioorganic & medicinal chemistry letters 20110615

Properties