CFam Chemical Families Database
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You are searching for "CFAMM00058349" in compound.

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CFAM Mol ID CFAMM00058349
Family CFFAD412 Acetylcholinesterase Inhibitor Neostigmine Family
Superfamily CFSAD358 Acetylcholinesterase Inhibitor Neostigmine Superfamily
Class CFCAD336 Class 336
External ID 108138 External Source PubChem
PubChem CID 108138 Functional Category Patent Compound
Molecule Name Pentacaine
IUPAC Name [(1R,2R)-2-pyrrolidin-1-ylcyclohexyl] N-(3-pentoxyphenyl)carbamate
Synonyms Trapencaine;(1r,2r)-2-(pyrrolidin-1-yl)cyclohexyl[3-(pentyloxy)phenyl]carbamate;K 1902;2-(1-Pyrrolidinyl)cyclohexyl 3-pentyloxycarbanilic acid ester;Trapencaine [INN];Pentakain [Czech.];Carbamic acid, (3-(pentyloxy)phenyl)-, (1R,2R)-2-(1-pyrrolidinyl)cyclohexyl ester, rel-;Carbamic acid, (3-(pentyloxy)phenyl)-, 2-(1-pyrrolidinyl)cyclohexyl ester, trans-;Trapencainum [INN-Latin];Trapencaina [INN-Spanish]
InChi InChI=1S/C22H34N2O3/c1-2-3-8-16-26-19-11-9-10-18(17-19)23-22(25)27-21-13-5-4-12-20(21)24-14-6-7-15-24/h9-11,17,20-21H,2-8,12-16H2,1H3,(H,23,25)/t20-,21-/m1/s1
InChiKey HVYGHQWGUABUST-NHCUHLMSSA-N
Formula C22H34N2O3 Molecular Weight 374.52
Cross Link
Structure

Statistics of CFAM Database

 
CFAM currently contains 490,279 molecules in 87,136 families, 34,880 superfamilies and 11,643 classes.
 

How to cite our database

 
C. Zhang, L. Tao, C. Qin, P. Zhang, S.Y. Chen, X. Zeng, F. Xu, Z. Chen, S.Y. Yang and Y.Z. CFam: A Chemical Families Database Based on Iterative Selection of Functional Seeds and Seed-Directed Compound Clustering. Nucl. Acids Res. 43 (D1): D558-D565 (2015) (First published online: November 20, 2014).
 

Last update by

 
2014.08.29
 

 

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Dr. Chen Yuzong

Deputy Director of Center for Computational Science and Engineering
Professor in Department of Pharmacy
National University of Singapore, Singapore


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