CFam Chemical Families Database
BIDD Pharmainformatics Databases
You are searching for "CFAMM00115202" in compound.

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Click on CFAM IDs and names to search or view in CFAM, click on external IDs to view the entity in its source database.

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CFAM Mol ID CFAMM00115202
Family CFFAD966 Nalfurafine Hcl family
Superfamily CFSAD816 Nalfurafine Hcl Superfamily
Class CFCAD66 Class 66
External ID 57020239 External Source PubChem
PubChem CID 57020239 Functional Category Patent Compound
Molecule Name
IUPAC Name [(4R,4aR,7S,7aR,12bS)-7-[3-(furan-3-yl)prop-2-enoyl-(2-methylpropyl)amino]-3-[(2-hydroxycyclopropyl)methyl]-2,4,4a,5,6,7,7a,13-octahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinoline-9-yl] acetate
InChi InChI=1S/C33H40N2O6/c1-19(2)16-35(29(38)9-4-21-10-13-39-18-21)25-7-6-24-26-14-22-5-8-28(40-20(3)36)31-30(22)33(24,32(25)41-31)11-12-34(26)17-23-15-27(23)37/h4-5,8-10,13,18-19,23-27,32,37H,6-7,11-12,14-17H2,1-3H3/t23?,24-,25-,26+,27?,32-,33-/m0/s1
Formula C33H40N2O6 Molecular Weight 560.68
Cross Link

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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