CFam Chemical Families Database
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You are searching for "CFAMM00301446" in compound.

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CFAM Mol ID CFAMM00301446
Family CFFID4035 Sodium-dependent dopamine transporter Inhibitor (+/-)-threo-n-(4-methoxybenzyl)methylphenidate Family
Superfamily CFSID2735 Sodium-dependent dopamine transporter Inhibitor (+/-)-threo-n-(4-methoxybenzyl)methylphenidate Superfamily
Class CFCID1623 Class 2973
External ID DNC014462 External Source TTD
PubChem CID 52942312 Functional Category Investigative Drug
Molecule Name (+/-)-threo-N-(4-Methoxybenzyl)methylphenidate
IUPAC Name methyl (2R)-2-[(2R)-1-[(4-methoxyphenyl)methyl]piperidin-2-yl]-2-phenylacetate
Synonyms CHEBI:804570;DNC014462;(+/-)-threo-N-(4-Methoxybenzyl)methylphenidate
InChi InChI=1S/C22H27NO3/c1-25-19-13-11-17(12-14-19)16-23-15-7-6-10-20(23)21(22(24)26-2)18-8-4-3-5-9-18/h3-5,8-9,11-14,20-21H,6-7,10,15-16H2,1-2H3/t20-,21-/m1/s1
Formula C22H27NO3 Molecular Weight 353.45
Cross Link CHEMBL1255100

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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National University of Singapore, Singapore

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