ChemSpider 2D Image | Rupatadine | C30H30ClN3O4

Rupatadine

  • Molecular FormulaC30H30ClN3O4
  • Average mass532.030 Da
  • Monoisotopic mass531.192505 Da
  • ChemSpider ID4952059

  • Double-bond stereo - Double-bond stereo

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

(2E)-2-Butendisäure --8-chlor-11-{1-[(5-methyl-3-pyridinyl)methyl]-4-piperidinyliden}-6,11-dihydro-5H-benzo[5,6]cyclohepta[1,2-b]pyridin (1:1) [German] [ACD/IUPAC Name]
1217234-48-4 [RN]
13-chloro-2-{1-[(5-methylpyridin-3-yl)methyl]piperidin-4-ylidene}-4-azatricyclo[9.4.0.0³,?]pentadeca-1(15),3,5,7,11,13-hexaene
158876-82-5 [RN]
182349-12-8 [RN]
5H-Benzo[5,6]cyclohepta[1,2-b]pyridine, 8-chloro-6,11-dihydro-11-[1-[(5-methyl-3-pyridinyl)methyl]-4-piperidinylidene]-, (2E)-2-butenedioate (1:1) [ACD/Index Name]
8-Chloro-11-{1-[(5-methyl-3-pyridinyl)methyl]-4-piperidinylidene}-6,11-dihydro-5H-benzo[5,6]cyclohepta[1,2-b]pyridine (2E)-2-butenedioate (1:1) [ACD/IUPAC Name]
8-Chloro-11-{1-[(5-methylpyridin-3-yl)methyl]piperidin-4-ylidene}-6,11-dihydro-5H-benzo[5,6]cyclohepta[1,2-b]pyridine (2E)-but-2-enedioate (1:1)
Acide (2E)-2-butènedioïque - 8-chloro-11-{1-[(5-méthyl-3-pyridinyl)méthyl]-4-pipéridinylidène}-6,11-dihydro-5H-benzo[5,6]cyclohepta[1,2-b]pyridine (1:1) [French] [ACD/IUPAC Name]
Rupafin [Trade name]
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

XJ6OT32M93 [DBID]
UNII:XJ6OT32M93 [DBID]
UNII-XJ6OT32M93 [DBID]
  • Experimental Physico-chemical Properties
  • Miscellaneous

    • Bio Activity:

      5-HT Receptor MedChem Express HY-13511A
      GPCR/G protein MedChem Express HY-13511A
      GPCR/G protein; Neuronal Signaling; MedChem Express HY-13511A
      Rupatadine Fumarate (UR-12592 Fumarate) is a potent dual PAF/H1 antagonist with Ki of 0.55/0.1 uM(rabbit platelet membranes/guinea pig cerebellum membranes). MedChem Express
      Rupatadine Fumarate (UR-12592 Fumarate) is a potent dual PAF/H1 antagonist with Ki of 0.55/0.1 uM(rabbit platelet membranes/guinea pig cerebellum membranes).; IC50 value:; Target: PAF/H1 antagonist; in vitro: Rupatadine competitively inhibited histamine-induced guinea pig ileum contraction (pA2 = 9.29 +/- 0.06) without affecting contraction induced by ACh, serotonin or leukotriene D4 (LTD4). MedChem Express HY-13511A
      Rupatadine Fumarate (UR-12592 Fumarate) is a potent dual PAF/H1 antagonist with Ki of 0.55/0.1 uM(rabbit platelet membranes/guinea pig cerebellum membranes).;IC50 value:;Target: PAF/H1 antagonist;In vitro: Rupatadine competitively inhibited histamine-induced guinea pig ileum contraction (pA2 = 9.29 +/- 0.06) without affecting contraction induced by ACh, serotonin or leukotriene D4 (LTD4). It also competitively inhibited PAF-induced platelet aggregation in washed rabbit platelets (WRP) (pA2 = 6.68 +/- 0.08) and in human platelet-rich plasma (HPRP) (IC50 = 0.68 microM), while not affecting ADP- or arachidonic acid-induced platelet aggregation [1]. The IC50 for rupatadine in A23187, concanavalin A and anti-IgE induced histamine release was 0.7+/-0.4 microM, 3.2+/-0.7 microM and 1.5+/-0.4 microM, respectively whereas for loratadine the IC50 was 2.1+/-0.9 microM, 4.0+/-1.3 M and 1.7+/-0.5 microM. SR-27417A exhibited no inhibitory effect [2].;In vivo: Rupatadine blocked histamine- and P MedChem Express HY-13511A

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

No predicted properties have been calculated for this compound.

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