CFAM Mol ID	CFAMM00015398
Family	CFFAD69 u-type opioid receptor ligand opiate analog Buprenorphine Family
Superfamily	CFSAD66 opioid receptor ligand opiate Codeine Buprenorphine Oxymorphone Superfamily
Class	CFCAD66 Class 66
External ID	DNCL003360	External Source	TTD
PubChem CID	56959087	Functional Category	Clinical Trial Drug
Molecule Name	Naloxegol
IUPAC Name	(4R,4aS,7S,7aR,12bS)-7-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-3-prop-2-enyl-1,2,4,5,6,7,7a,13-octahydro-4,12-methanobenzofuro[3,2-e]isoquinoline-4a,9-diol
Synonyms	NKTR-118;854601-70-0;Naloxegol [INN];Naloxegol (USAN/INN);UNII-44T7335BKE;GTPL7539;CHEMBL2219418;D10479;(5alpha,6alpha)-17-Allyl-6-[(20-hydroxy-3,6,9,12,15,18-hexaoxaicos-1-yl)oxy]-4,5-epoxymorphinan-3,14-diol;Morphinan-3,14-diol, 4,5-epoxy-6-(3,6,9,12,15,18,21-heptaoxadocos-1-yloxy)- 17-(2-propenyl)-, (5alpha,6alpha)-
InChi	InChI=1S/C34H53NO11/c1-3-9-35-10-8-33-30-26-4-5-27(36)31(30)46-32(33)28(6-7-34(33,37)29(35)25-26)45-24-23-44-22-21-43-20-19-42-18-17-41-16-15-40-14-13-39-12-11-38-2/h3-5,28-29,32,36-37H,1,6-25H2,2H3/t28-,29+,32-,33-,34+/m0/s1
InChiKey	XNKCCCKFOQNXKV-ZRSCBOBOSA-N
Formula	C34H53NO11	Molecular Weight	651.78
Cross Link	CHEMBL2219418
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

27398 visits since 2014 .........

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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