FO9

famotidine

Created:	2018-03-26
Last modified:	2018-11-28

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4 entries where FO9 is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	37
Chiral Atom Count	0
Bond Count	37
Aromatic Bond Count	0

2D diagram of FO9

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Chemical Component Summary
Name	famotidine
Systematic Name (OpenEye OEToolkits)	3-[[2-[bis(azanyl)methylideneamino]-5~{H}-1,3-thiazol-4-yl]methylsulfanyl]-~{N}'-sulfamoyl-propanimidamide
Formula	C₈ H₁₇ N₇ O₂ S₃
Molecular Weight	339.461
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.385	NC(N)=NC1=[SH]CC(=N1)CSCCC(N)=N[S](N)(=O)=O
SMILES	OpenEye OEToolkits	2.0.6	C1C(=NC(=S1)N=C(N)N)CSCCC(=NS(=O)(=O)N)N
Canonical SMILES	CACTVS	3.385	NC(N)=NC1=[SH]CC(=N1)CSCCC(N)=N[S](N)(=O)=O
Canonical SMILES	OpenEye OEToolkits	2.0.6	C1C(=NC(=S1)N=C(N)N)CSCC/C(=N/S(=O)(=O)N)/N
InChI	InChI	1.03	InChI=1S/C8H17N7O2S3/c9-6(15-20(12,16)17)1-2-18-3-5-4-19-8(13-5)14-7(10)11/h19H,1-4H2,(H2,9,15)(H4,10,11,14)(H2,12,16,17)
InChIKey	InChI	1.03	YFGRAZUYIUBWJO-UHFFFAOYSA-N

RCSB PDB Core Operations are funded by the U.S. National Science Foundation (DBI-2321666), the US Department of Energy (DE-SC0019749), and the National Cancer Institute, National Institute of Allergy and Infectious Diseases, and National Institute of General Medical Sciences of the National Institutes of Health under grant R01GM157729.