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经验公式(希尔记法):
C26H26ClN3 · C4H4O4
化学文摘社编号:
分子量:
532.03
UNSPSC Code:
51111800
NACRES:
NA.77
MDL number:
Assay:
≥98% (HPLC)
Form:
powder
Quality Segment
assay
≥98% (HPLC)
form
powder
color
white to beige
solubility
DMSO: 2 mg/mL, clear
storage temp.
2-8°C
SMILES string
Clc1cc2c(cc1)C(=C4CCN(CC4)Cc5cncc(c5)C)c3ncccc3CC2.OC(=O)\C=C\C(=O)O
InChI
1S/C26H26ClN3.C4H4O4/c1-18-13-19(16-28-15-18)17-30-11-8-20(9-12-30)25-24-7-6-23(27)14-22(24)5-4-21-3-2-10-29-26(21)25;5-3(6)1-2-4(7)8/h2-3,6-7,10,13-16H,4-5,8-9,11-12,17H2,1H3;1-2H,(H,5,6)(H,7,8)/b;2-1+
InChI key
JYBLCDXVHQWMSU-WLHGVMLRSA-N
Biochem/physiol Actions
Rupatadine (UR-12592) is an orally active, dual histamine H1 and platelet-activating factor (PAF) receptor antagonist (Ki(app) = 100/550 nM against pyrilamine/WEB2086 binding to guinea pig cerebellum/rabbit platelet membranes) that inhibits histamine-induced guinea pig ileum contraction (pA2 = 9.29) and PAF-induced platelet aggregation (IC50 = 0.68 μM/human PRP). Rupatadine blocks histamine-/PAF-induced hypotension (ID50 = 1.4/0.44 mg/kg i.v. rats) and bronchoconstriction (ID50 = 113/9.6 μg/kg i.v. guinea pigs), as well as prevents mortality caused by PAF (ID50 = 0.31 mg/kg i.v. or 3.0 mg/kg p.o. mice) and endotoxin (mice/rats ID50 = 1.6/0.66 mg/kg i.v.) in vivo.
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signalword
Warning
hcodes
Hazard Classifications
Acute Tox. 4 Oral
存储类别
11 - Combustible Solids
wgk
WGK 3
flash_point_f
Not applicable
flash_point_c
Not applicable
