Compound Selection

Formula: C28H46O

MW: 398.67

CAS: 67-96-9

TNP NUMBER: TNP00601

MDL NUMBER: MFCD09788229

IUPAC: 3-{2-[7-((2E)-1,4,5-trimethylhex-2-enyl)-6-methylbicyclo[4.3.0]non-2-ylidene]e thylidene}-4-methylcyclohexan-1-ol

Smiles: C1(=C/C=C2\C3C(C(CC3)C(\C=C\C(C(C)C)C)C)(CCC2)C)/CC(CCC1C)O

Used to treat certain types of muscle cramps (tetany), regulates parathyroid hormone in persons with hypoparathyroidism

THERAPEUTIC CATEGORY: Calcium regulator

ACCEPTORS: 1

DONORS: 1

ROTATION BONDS: 6

N+O: 1

Chiral Centers: 7

LogP: 11.41

LogS: -7.5

LIPINSKI: 3

Synonyms: 9,10-SECOERGOSTA-5,7,22-TRIEN-3BETA-OL;9,10-SECOERGOSTA-5,7,22-TRIEN-3B-OL;DICHYSTROLUM;DIHYDROTACHYSTEROL;CALCAMINE;AT-10;ANTITANIL;7,22-trien-3-ol,(3-beta,5e,7e,10-alpha,22e)-10-secoergosta-5

CAS:67-96-9

MF:C28H46O

MW:398.66

EINECS:200-672-7

Product Categories: DIHYDROTACHYSTEROL

Chemical Properties: storage temp. 2-8C Xn Risk Statements 22 Safety Statements 36 RIDADR UN 2811 6.1/PG 3 WGK Germany 3 RTECS WW0600000 HazardClass 6.1(b) PackingGroup III Hazardous Substances Data67-96-9(Hazardous Substances Data) DIHYDROTACHYSTEROL

Usage And Synthesis: DIHYDROTACHYSTEROL

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