Compound Selection

Formula: C37H41N5O11

MW: 731.76

CAS: 379-79-3

MDL: MFCD01104976

TNP: TNP00163

LogP: 1.78

LogS: -5.24

Acceptors: 11

Donors: 7

Rotation Bonds: 5

Chiral Centers: 8

N+O: 16


Info: Vasoconstrictor found in ergot of Central Europe


Smiles: N12C(OC(N[C@](C3C=C4c5c6c([nH]cc6CC4N(C3)C)ccc5)=O)(C)C1=O)(C1N(C(=O)C2Cc2ccccc2)CCC1)O.C(C(C(C(=O)O)O)O)(=O)O

THERAPEUTIC CATEGORY: Antimigraine. In Vetirinary tartrate used as oxytocic

Chemical Compounds - Natural Compounds

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

Site Search

Compound Search



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