WHC is still in active development. Read this to understand our approach.
depiction of SATCULPHIDQDRE-UHFFFAOYSA-N.svg
isomerdesign

3,4-MDBAL

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pubchem

Piperonal

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drugmap

Piperonal

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Data

InChI: InChI=1S/C8H6O3/c9-4-6-1-2-7-8(3-6)11-5-10-7/h1-4H,5H2

Sinónimos: 1,3-Benzodioxole-5-carbaldehyde #,3,4-Bis(methylenedioxy)benzaldehyde,SCHEMBL29318,3,4-MDBAL,3,4-Methylenedioxybenzaldehyde (Piperonal),5XC,WLN: T56 BO DO CHJ GVH,2H-1,3-Benzodioxole-5-Carbaldehyde,Dioxymethylene protocatechuic aldehyde,4-methylenedioxybenzaldehyde,Piperonal, 8CI,AKOS002662846,3,4-Dihydroxybenzaldehyde methylene ketal,3,4 -methylenedioxybenzaldehyde,PIPERONAL [MI],3, 4-(Methylenedioxy)benzaldehyde,STK188426,KE109YAK00,PIPERONAL,benzo[1,3]dioxole-5-carbaldehyde,Benzaldehyde,4-(methylenedioxy)-,benzo[1,3]dioxole-5-carboxaldehyde,FEMA 2911,CAS-120-57-0,Piperanal,Pperonyl aldehyde,FEMA No. 2911,Piperonaldehyde,HSDB 581,BDBM153298,CHEBI:8240,5-Formyl-1,3-benzodioxole,NSC 26826,NSC26826,DSSTox_CID_5924,P0456,NCGC00091137-02,1,3-benzodioxol-5-carbaldehyde,3,4-Methylene-dihydroxybenzaldehyde,Piperonal,3,4-methylenedioxy benzaldehyde,3,4-METHYLEN-DIOXY-BENZALDEHYDE,3,4-(methylenedioxy)-benzaldehyde,3,4-(Methylenedioxy)benzaldehyde,PIPERONAL [MART.],Piperonal, >=99%, FCC, FG,Piperonale,Piperonylaldehyde,PIPERONAL [FHFI],Heliotropine,PIPERONAL [HSDB],3,4-Methylendioxy-benzaldehyde,Heliotropine (piperonal),Heliotropin (natural),benzo[1,3]dioxol-5-carbaldehyde,Heliotropin,PIPERONAL [FCC],AC-11587,1,3-Benzodioxole-5-carboxaldehyde, 9CI,DSSTox_GSID_25924,Benzo[1,3]dioxole-5-carbaldehyde,BBL007668,Blue P,ACT05572,NCGC00257674-01,Piperonal, analytical standard,ZINC1953,DSSTox_RID_77967,Piperonyl aldehyde,PIPERONAL [WHO-DD],J-523977,NCGC00091137-01,AI3-01198,EINECS 204-409-7,Piperonal, natural, 98%, FG,DIOXYMETHYLENEPROTOCATECHUIC ALDEHYDE,DTXSID7025924,Benzo[D][1,3]Dioxole-5-Carbaldehyde,benzo-1,3-dioxole-5-carbaldehyde,Benzaldehyde, 3,4-(methylenedioxy)-,3,4-Methylenedioxybenzaldehyde,1,3-BENZODIOXOLE-6-CARBOXALDEHYDE,3,4-methylenedioxy-benzaldehyde,UNII-KE109YAK00,2H-BENZO(3,4-D)-1,3-DIOXOLAN-5-YLFORMALDEHYDE,120-57-0,3,4-Dimethylenedioxybenzaldehyde,Piperonal, 99%,1,3-Benzodioxole-5-carbaldehyde,1,3-Benzodioxole-5-carboxaldehyde,Geliotropin,PIPERONAL (CONSTITUENT OF BLACK PEPPER) [DSC],Q418985,HELIOTROPINE [INCI],Tox21_200120,DB-021956,3,4-methylene-dioxybenzaldehyde,Dioxymethylene-protocatechuic aldehyde,NSC-26826,CHEMBL271663,CCRIS 5928,EC 204-409-7,3, 4-Bis(methylenedioxy)benzaldehyde,benzo[d]-1,3-dioxolane-5-carboxaldehyde,Protocatechuic aldehyde methylene ether

Estimated data

Solubilidad: -1.558 (log(S) in mol/L prediction using SolTranNet)

Blood Brain Barrier Permeability: Yes (prediction using frontiersin.org)

Addictivity Prediction: 73.6% (prediction based on www.mdpi.com)

Similitudes

The following is a set of comparisons to understand the properties of this compound. This is still higly experimental and is still under active development. Please refer to our series of blog posts to fully understand our approach and its limitations. This information is for informational purposes only and should not be construed as medical advice.