Compound Selection

Formula: C32H41N5O5

MW: 575.71

CAS: 511-09-1

TNP NUMBER: TNP00320

MDL NUMBER: MFCD02185004

Smiles: O[C@@]12N([C@@H](CC(C)C)C(N3[C@H]1(CCC3))=O)C([C](O2)(NC(=O)[C@@H]1C=C2c3c4c(C[C@H]2(N(C1)C))c[nH]c4ccc3)C(C)C)=O

THERAPEUTIC CATEGORY: Vasoconstrictor

VET THERAP CATEGORY: Has been used as an oxytoxic

REFERENCE: Larson, B.T., Alkaloid binding and activation D2 dopamine receptors in cell culture. J. Anim. Sci. 77, 942, (1999) abstract Merck Index, 12th Ed. 3689

SOURCE: from Ergot

ACCEPTORS: 5

DONORS: 3

ROTATION BONDS: 2

N+O: 10

Chiral Centers: 6

LogP: 5

LogS: -6.09

LIPINSKI: 3

Synonyms: 12

Chemical Compounds - BioActive Compounds

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

Site Search

Compound Search

share

FacebookTwitterLinkedin

Contact Us

Toll Free 800-574-7391
Phone: 302-292-8500
Fax: 302-292-8520

Chem-TCM is the digital database of molecules from plants used in the traditional Chinese medicine
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