CFam Chemical Families Database
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You are searching for "CFAMM00438244" in compound.

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CFAM Mol ID CFAMM00438244
Family CFFBM16463 Sodium-dependent serotonin transporter and Sodium-dependent noradrenaline transporter inhibitor SureCN5994139 family
Superfamily CFSCD383 Substance-P receptor Ligand Ezlopitant Superfamily
Class CFCAD120 Class 120
External ID ZINC04060852 External Source ZINC
PubChem CID 7086118 Functional Category Natural Product
Molecule Name 2-[(1R,4aS,8aS)-1-(2,4-dimethoxyphenyl)-4a-hydroxy-2,3,4,5,6,7,8,8a-octahydro-1H-isoquinolin-2-ium-2-yl]acetamide
IUPAC Name 2-[(1R,4aS,8aS)-1-(2,4-dimethoxyphenyl)-4a-hydroxy-2,3,4,5,6,7,8,8a-octahydro-1H-isoquinolin-2-ium-2-yl]acetamide
Synonyms AC1OERQQ;2-[(1R,4aS,8aS)-1-(2,4-dimethoxyphenyl)-4a-hydroxy-2,3,4,5,6,7,8,8a-octahydro-1H-isoquinolin-2-ium-2-yl]acetamide
InChi InChI=1S/C19H28N2O4/c1-24-13-6-7-14(16(11-13)25-2)18-15-5-3-4-8-19(15,23)9-10-21(18)12-17(20)22/h6-7,11,15,18,23H,3-5,8-10,12H2,1-2H3,(H2,20,22)/p+1/t15-,18-,19-/m0/s1
Formula C19H29N2O4+ Molecular Weight 349.44
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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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