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13-chloro-2-{1-[(5-methylpyridin-3-yl)methyl]piperidin-4-ylidene}-4-azatricyclo[9.4.0.0³,⁸]pentadeca-1(11),3(8),4,6,12,14-hexaene

Compound number:
MolPort-021-783-054
CAS number: 158876-82-5
IUPAC:
13-chloro-2-{1-[(5-methylpyridin-3-yl)methyl]piperidin-4-ylidene}-4-azatricyclo[9.4.0.0³,⁸]pentadeca-1(11),3(8),4,6,12,14-hexaene
IUPAC traditional:
13-chloro-2-{1-[(5-methylpyridin-3-yl)methyl]piperidin-4-ylidene}-4-azatricyclo[9.4.0.0³,⁸]pentadeca-1(11),3(8),4,6,12,14-hexaene
SMILES:
[#6]-c1cncc(-[#6]-[#7]-2-[#6]-[#6]\[#6](-[#6]-[#6]-2)=[#6]-2\c3ccc(Cl)cc3-[#6]-[#6]-c3cccnc-23)c1
InChI key:
WUZYKBABMWJHDL-UHFFFAOYSA-N
Molecular formula:
C26H26ClN3
Molecular weight: 415.97

Marketplace Offers

S&H to USA: 50.00 USD
S&H to World: 85.00 USD

Supplier Catalogue Data


Catalog: Screening compound Ships out: 7 business days Purity: n/a
Last updated: this week In warehouse: Unverified
Pack size Ships out Price Qty
100 mg March 28, 2019 104.40 USD
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500 mg March 28, 2019 216.00 USD
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S&H to USA: 50.00 USD
S&H to World: 85.00 USD

Supplier Catalogue Data


Catalog: Screening compound Ships out: 20 business days Purity: n/a
Last updated: this week In warehouse: Unverified
Pack size Ships out Price Qty
100 mg April 16, 2019 104.40 USD
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500 mg April 16, 2019 216.00 USD
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S&H to USA: 58.35 USD
S&H to World: 89.00 USD

Supplier Catalogue Data


Catalog: Building blocks Ships out: 10 business days Purity: 98.0
Last updated: this week In warehouse: 25.00 g
Pack size Ships out Price Qty
1 g April 2, 2019 538.00 USD
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5 g April 2, 2019 769.00 USD
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More Information

Compound Identifiers
Compound number: MolPort-021-783-054
CAS number: 158876-82-5

Names, Synonyms and 3rd Party Identifiers
Name: ZINC000000598829
MFCD00926499
MFCD09039284
8-Chloro-11-(1-((5-methylpyridin-3-yl)methyl)piperidin-4-ylidene)-6,11-dihydro-5H-benzo[5,6]cyclohepta[1,2-b]pyridine
8-Chloro-6,11-dihydro-11-[1-[(5-methyl-3-pyridyl)methyl]-4-piperidylidene]-5H-benzo[5,6]cyclohepta[1,2-b]pyridine
Rupatadine
Rupatadine fumarate
UR-12592

InChI
InChI: 1S/C26H26ClN3/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/h2-3,6-7,10,13-16H,4-5,8-9,11-12,17H2,1H3
InChI key: WUZYKBABMWJHDL-UHFFFAOYSA-N

Calculated Properties
Molecular formula: C26H26ClN3
Molecular weight: 415.97

Other

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2018 MolPort, v2.66, release date 05-03-2019 15:00 (+0200). All rights reserved.
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