N-(2-adamantyl)-1-(oxan-4-ylmethyl)indazole-3-carboxamide (Q25099411)

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chemical compound

• adamantyl-THPINACA

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Language	Label	Description	Also known as
English	N-(2-adamantyl)-1-(oxan-4-ylmethyl)indazole-3-carboxamide	chemical compound	adamantyl-THPINACA

Statements

instance of

type of chemical entity

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subclass of

chemical compound

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has use

drug

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chemical structure

Adamantyl-THPINACA.svg
490 × 620; 19 KB

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mass

393.24162723200004 dalton

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based on heuristic

inferred from InChI

chemical formula

C₂₄H₃₁N₃O₂

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canonical SMILES

C12C(C3CC(CC(C1)C3)C2)NC(=O)C2=NN(C3=CC=CC=C23)CC2CCOCC2

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Identifiers

InChI

InChI=1S/C24H31N3O2/c28-24(25-22-18-10-16-9-17(12-18)13-19(22)11-16)23-20-3-1-2-4-21(20)27(26-23)14-15-5-7-29-8-6-15/h1-4,15-19,22H,5-14H2,(H,25,28)

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InChIKey

XFZLBNDGZVRJNJ-UHFFFAOYSA-N

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CAS Registry Number

1400742-48-4

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PubChem CID

123132009

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stated in

PubChem

retrieved

26 December 2021

inferred from

InChIKey

matched by identifier from

InChIKey

InChIKey

XFZLBNDGZVRJNJ-UHFFFAOYSA-N

UniChem compound ID

149533779

1 reference

stated in

UniChem

DSSTox substance ID

DTXSID101009995

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DSSTOX compound identifier

DTXCID401436418

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UNII

7I4LAF1R3Y

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matched by identifier from

InChIKey

InChIKey

XFZLBNDGZVRJNJ-UHFFFAOYSA-N

Probes And Drugs ID

PD044019

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Google Knowledge Graph ID

/g/11bwf5kpzh

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Sitelinks

Wikipedia(1 entry)

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• enwiki Adamantyl-THPINACA

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Wikinews(0 entries)

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Wikiquote(0 entries)

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Wikisource(0 entries)

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Wikiversity(0 entries)

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Wikivoyage(0 entries)

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Wiktionary(0 entries)

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Multilingual sites(0 entries)

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