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

Compound number MolPort-021-783-054
Molecular weight 415.97
InChI key WUZYKBABMWJHDL-UHFFFAOYSA-N
Molecular formula C26H26ClN3
DMSO Solubility Unknown
SMILES [#6]-c1cncc(-[#6]-[#7]-2-[#6]-[#6]\[#6](-[#6]-[#6]-2)=[#6]-2\c3ccc(Cl)cc3-[#6]-[#6]-c3cccnc-23)c1
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Aaron Chemicals LLC

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65.00 USD
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Building blocks
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8 business days
Purity
98+%
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> 3 months ago
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1000.00 mg

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December 12, 2022
107.00 USD
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Angene (China)

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Building blocks
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98%
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600.00 mg

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December 15, 2022
108.00 USD
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BLD Pharmatech Ltd.

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90.00 USD
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Building blocks
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11 business days
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350.00 mg

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December 15, 2022
139.00 USD
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235.00 USD

Labseeker

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Building blocks
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16 business days
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98.00
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December 22, 2022
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TargetMol (made-to-order)

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35.00 USD
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98%
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January 12, 2023
970.00 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
5H-Benzo[5,6]cyclohepta[1,2-b]pyridine, 8-chloro-6,11-dihydro-11-[1-[(5-methyl-3-pyridinyl)methyl]-4-piperidinylidene]-
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
MFCD00926499
MFCD09039284

InChI

InChI
1/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

Formula

Molecular formula
C26H26ClN3
Molecular weight
415.97

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