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You are searching for "CFAMM00015398" in compound. Total 1 results found.
Click on CFAM IDs and names to search or view in CFAM, click on external IDs to view the entity in its source database.
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 |
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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).
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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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