Compound Selection

Formula: C33H40N2O9

MW: 608.69

CAS: 50-55-5

TNP NUMBER: TNP00187

MDL NUMBER: MFCD00066722

IUPAC: 3,8-dimethoxy-4-(methoxycarbonyl)-1,2,3,4,5,11,14,14a,4a,5a-decahydrobenzo[3,4 -g]indolo[2,3-a]quinolizin-2-yl 3,4,5-trimethoxybenzoate

Smiles: c1cc2c(cc1OC)[nH]c1c2CCN2C1CC1C(C2)CC(C(C1C(OC)=O)OC)OC(c1cc(c(c(c1)OC)OC)OC)=O

THERAPEUTIC CATEGORY: Antihypertensive

VET THERAP CATEGORY: Hypotensive, Tranquilizer.

SOURCE: Found in Rauwolfia spp.

ACCEPTORS: 9

DONORS: 1

ROTATION BONDS: 8

N+O: 11

Chiral Centers: 6

LogP: 6.02

LogS: -6.6

LIPINSKI: 2

Synonyms: RESERPINE;3,4,5-TRIMETHOXYBENZOYL METHYL RESERPATE;11,17-DIMETHOXY-18-[(3,4,5-TRIMETHOXYBENZOYL)OXY]YOHIMBAN-16-CARBOXYLIC ACID METHYL ESTER;METHYL RESERPATE;METHYL RESERPATE 3,4,5-TRIMETHOXYBENZOIC ACID ESTER;l -Carpserp;(3beta,16beta,17alpha,18beta,20alpha)-methyleste;,methylester,(3beta,16beta,17alpha,18beta,20alpha)-

CAS:50-55-5

MF:C33H40N2O9

MW:608.68

EINECS:200-047-9

Product Categories:Miscellaneous Natural Products;Alkaloids;Biochemistry;Indole Alkaloids;Dopaminergics;Neurotransmitters;Others;Asymmetric Synthesis;Chiral Building Blocks;Complex Molecules Reserpine

Chemical Properties: mp ~265 C (dec.) refractive index 177 (C=1, DMF) storage temp. 2-8C Merck 14,8145 BRN 102014 Stability:Stable, but darkens slowly in light. Combustible. Incompatible with strong acids, reducing agents, oxidizing agents. NIST Chemistry ReferenceReserpine(50-55-5) EPA Substance Registry SystemYohimban-16-carboxylic acid, 11,17-dimethoxy-18-[(3,4,5- trimethoxybenzoyl)oxy]-, methyl ester, (3.beta.,16.beta.,17.alpha., 18.beta.,20.alpha.)-(50-55-5) Xn,Xi Risk Statements 22-67-36-10 Safety Statements 22-36/37/39-26 RIDADR 3077 WGK Germany 3 RTECS ZG0350000 F 10-23 PackingGroup II Hazardous Substances Data50-55-5(Hazardous Substances Data) Reserpine

Usage And Synthesis:

Chemical Properties: off-white crystalline powder General DescriptionWhite or cream to slightly yellow crystals or crystalline powder. Odorless with a bitter taste. Air & Water ReactionsInsoluble in water. Reacts slowly with air and water. Darkens slowly on exposure to light. Reactivity ProfileReserpine is a weak base and can form salts with strong acids. Incompatible with oxidizing agents and reducing agents. Fire HazardFlash point data for Reserpine are not available; however, Reserpine is probably combustible. Biological ActivityBinds the vesicular monoamine transporter (VMAT2) and inhibits transport of biogenic amines into adrenal chromaffin granules and synaptic vesicles. Causes depletion of biogenic amine stores. Antihypertensive and antipsychotic. Reserpine

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