Zolantidine

Zolantidine
Clinical data
ATC code	None;
Identifiers
	IUPAC name N-[3-[3-(piperidin-1-ylmethyl)phenoxy]propyl]-1,3-benzothiazol-2-amine;
CAS Number	104076-38-2;
PubChem CID	91769;
ChemSpider	82866;
UNII	M1108XAY01;
ChEMBL	ChEMBL419296;
CompTox Dashboard (EPA)	DTXSID6048460 ;
Chemical and physical data
Formula	C22H27N3OS
Molar mass	381.54 g·mol−1
3D model (JSmol)	Interactive image;
	SMILES n1c4ccccc4sc1NCCCOc2cc(ccc2)CN3CCCCC3;
	InChI InChI=1S/C22H27N3OS/c1-4-13-25(14-5-1)17-18-8-6-9-19(16-18)26-15-7-12-23-22-24-20-10-2-3-11-21(20)27-22/h2-3,6,8-11,16H,1,4-5,7,12-15,17H2,(H,23,24); Key:KUBONGDXTUOOLM-UHFFFAOYSA-N;

Zolantidine is a brain-penetrating selective histamine H₂ receptor (HRH₂) antagonist developed by Smith, Kline & French, with the research code of SK&F 95282. It is a benzothiazole derivative with a 30-fold higher potency for H₂ receptors than other peripheral and central receptors.^[1]

References

^ Calcutt CR, Ganellin CR, Griffiths R, Leigh BK, Maguire JP, Mitchell RC, et al. (January 1988). "Zolantidine (SK&F 95282) is a potent selective brain-penetrating histamine H2-receptor antagonist". British Journal of Pharmacology. 93 (1): 69–78. doi:10.1111/j.1476-5381.1988.tb11406.x. PMC 1853786. PMID 2894879.69-78&rft.date=1988-01&rft_id=https://www.ncbi.nlm.nih.gov/pmc/articles/PMC1853786#id-name=PMC&rft_id=info:pmid/2894879&rft_id=info:doi/10.1111/j.1476-5381.1988.tb11406.x&rft.aulast=Calcutt&rft.aufirst=CR&rft.au=Ganellin, CR&rft.au=Griffiths, R&rft.au=Leigh, BK&rft.au=Maguire, JP&rft.au=Mitchell, RC&rft.au=Mylek, ME&rft.au=Parsons, ME&rft.au=Smith, IR&rft.au=Young, RC&rft_id=https://www.ncbi.nlm.nih.gov/pmc/articles/PMC1853786&rfr_id=info:sid/en.wikipedia.org:Zolantidine" class="Z3988">

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[1] Calcutt CR, Ganellin CR, Griffiths R, Leigh BK, Maguire JP, Mitchell RC, et al. (January 1988). "Zolantidine (SK&F 95282) is a potent selective brain-penetrating histamine H2-receptor antagonist". British Journal of Pharmacology. 93 (1): 69–78. doi:10.1111/j.1476-5381.1988.tb11406.x. PMC 1853786. PMID 2894879.69-78&rft.date=1988-01&rft_id=https://www.ncbi.nlm.nih.gov/pmc/articles/PMC1853786#id-name=PMC&rft_id=info:pmid/2894879&rft_id=info:doi/10.1111/j.1476-5381.1988.tb11406.x&rft.aulast=Calcutt&rft.aufirst=CR&rft.au=Ganellin, CR&rft.au=Griffiths, R&rft.au=Leigh, BK&rft.au=Maguire, JP&rft.au=Mitchell, RC&rft.au=Mylek, ME&rft.au=Parsons, ME&rft.au=Smith, IR&rft.au=Young, RC&rft_id=https://www.ncbi.nlm.nih.gov/pmc/articles/PMC1853786&rfr_id=info:sid/en.wikipedia.org:Zolantidine" class="Z3988">

[1]

Clinical data

ATC code	None
Identifiers
IUPAC name N-[3-[3-(piperidin-1-ylmethyl)phenoxy]propyl]-1,3-benzothiazol-2-amine
CAS Number	104076-38-2
PubChem CID	91769
ChemSpider	82866
UNII	M1108XAY01
ChEMBL	ChEMBL419296
CompTox Dashboard (EPA)	DTXSID6048460
Chemical and physical data
Formula	C₂₂H₂₇N₃OS
Molar mass	381.54 g·mol⁻¹
3D model (JSmol)	Interactive image
SMILES n1c4ccccc4sc1NCCCOc2cc(ccc2)CN3CCCCC3
InChI InChI=1S/C22H27N3OS/c1-4-13-25(14-5-1)17-18-8-6-9-19(16-18)26-15-7-12-23-22-24-20-10-2-3-11-21(20)27-22/h2-3,6,8-11,16H,1,4-5,7,12-15,17H2,(H,23,24) Key:KUBONGDXTUOOLM-UHFFFAOYSA-N