Compound Selection

Formula: C14H13NO4

MW: 259.26

CAS: 83-95-4

MDL: MFCD00275927

TNP: TNP00202

SKIMMIANINE; Chloroxylonine,Skimmianine

LogP: 2.53

LogS: -3.85

Acceptors: 4

Donors: 0

Rotation Bonds: 3

Chiral Centers: 0

N+O: 5

LIPINSKY: 4

IUPAC: 4,7,8-trimethoxyfurano[2,3-b]quinoline

Smiles: c12nc3occc3c(c1ccc(c2OC)OC)OC

Merck 13 Reference: Monograph Number: 0008632

Title: Skimmianine

CAS Registry Number: 83-95-4

CAS Name: 4,7,8-Trimethoxyfuro[2,3-b]quinoline

Additional Names: b-fagarine; 7,8-dimethoxydictamnine

Molecular Formula: C14H13NO4

Molecular Weight: 259.26.

Percent Composition: C 64.86%, H 5.05%, N 5.40%, O 24.68%

Literature References: In Skimmia japonica Thunb., Fagara spp., Glycosmis pentaphylla Corr., Ruta graveolens L., Rutaceae: Honda, Arch. Exp. Pathol. Pharmakol. 52, 83 (1904); Paris, Moyse-Mignon, Ann. Pharm. Fr. 5, 410 (1947), C.A. 42, 3909h (1948); Chatterjee, Majumdar, J. Am. Chem. Soc. 76, 2459 (1954); Schneider, Arzneim.-Forsch. 14, 435 (1964). Identity with b-fagarine: Deulofeu et al., J. Am. Chem. Soc. 64, 2326 (1942). Structure: Asahina, Inubuse, Ber. 63, 2052 (1930).

Properties: Pyramids, octahedral rods from alcohol. mp 178. uv max (ethanol): 212, 251, 321, 331 nm (log e 4.10, 4.91, 3.89, 3.91). Neutral to litmus. Sol in alcohol, chloroform; slightly in ether, amyl alcohol and carbon disulfide; practically insol in water and petr ether.

Melting point: mp 178

Absorption maximum: uv max (ethanol): 212, 251, 321, 331 nm (log e 4.10, 4.91, 3.89, 3.91)

Chemical Compounds - Natural Compounds

Structure Search Shop Online Download Databases Request a CD
Structure Search eChemStore Download Request CD

Site Search

Compound Search

share

FacebookTwitterLinkedin

Contact Us

Phone: 302-292-8500
Fax: 302-292-8520

MyriaScreen II – diversity screening library from Sigma-Aldrich and TimTec
ApexScreen is a collection of 5,040 compounds that were selected to represent the diversity of TimTec stock
Chemistry reagents, HPLC columns, natural compounds
innovative software packages for chemical database management, chemical web server, structure drawing, diversity analysis, clustering, HTS and combinatorial chemistry, prediction of LogP/solubility/Pk, and Spectra Management