C4522
Cimetidine
histamine H2 receptor antagonist, powder
Synonym(s):
SKF-92334
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About This Item
Empirical Formula (Hill Notation):
C10H16N6S
CAS Number:
Molecular Weight:
252.34
NACRES:
NA.77
PubChem Substance ID:
UNSPSC Code:
12352200
EC Number:
257-232-2
MDL number:
Form:
powder
Product Name
Cimetidine,
form
powder
originator
GlaxoSmithKline
storage temp.
2-8°C
SMILES string
CN\C(NC#N)=N\CCSCc1nc[nH]c1C
InChI
1S/C10H16N6S/c1-8-9(16-7-15-8)5-17-4-3-13-10(12-2)14-6-11/h7H,3-5H2,1-2H3,(H,15,16)(H2,12,13,14)
InChI key
AQIXAKUUQRKLND-UHFFFAOYSA-N
Gene Information
human ... ABCB1(5243), CYP1A2(1544), CYP3A4(1576), HRH2(3274), SLC9A2(6549), SLC9A5(6553)
mouse ... Abcb1a(18671), Abcb1b(18669)
rat ... Slc9a1(24782), Slc9a3(24784), Slc9a5(192215)
Biochem/physiol Actions
H2 histamine receptor antagonist; I1 imidazoline receptor agonist; anti-ulcer agent. Blocks cancer metastasis by inhibiting the expression of E-selectin on the surface of endothelial cells, thus blocking tumor cell adhesion.
Features and Benefits
This compound is a featured product for ADME Tox research. Click here to discover more featured ADME Tox products. Learn more about bioactive small molecules for other areas of research at sigma.com/discover-bsm.
This compound was developed by GlaxoSmithKline. To browse the list of other pharma-developed compounds and Approved Drugs/Drug Candidates, click here.
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Storage Class
11 - Combustible Solids
wgk
WGK 3
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Eyeshields, Gloves, type P3 (EN 143) respirator cartridges
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