Bufotenine
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Formula: C12H16N2O
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Molecular weight: 204.27
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Smiles: CN(C)CCC1=CNC2=C1C=C(C=C2)O
Bufotenine
Names
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Mycotoxin name: Bufotenine
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First synonym: Bufotenine
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Synonyms: Bufotenine,Bufotenin,N,N-Dimethylserotonin,Mappin,N,N-Dimethyl-5-hydroxytryptamine,487-93-4,Cinobufotenine,Cohoba,Mappine,Dimethylserotonin,DM5-HT,5-Hydroxy-N,N-dimethyltryptamine,3-[2-(Dimethylamino)ethyl]-1H-indol-5-ol,3-(2-Dimethylaminoethyl)-5-indolol,Mapine,3-[2-(Dimethylamino)ethyl]-5-indolol,3-[2-(Dimethylamino)ethyl]indol-5-ol,NSC 89593,1H-Indol-5-ol, 3-(2-(dimethylamino)ethyl)-,UNII-0A31347TZK,3-(beta-Dimethylaminoethyl)-5-hydroxyindole,3-[beta-(Dimethylamino)ethyl]-5-hydroxyindole,1H-Indol-5-ol, 3-[2-(dimethylamino)ethyl]-,3-(2-Dimethylaminoethyl)indol-5-ol,CHEBI:3210,CHEMBL416526,Indol-5-ol, 3-[2-(dimethylamino)ethyl]-,3-(2-(Dimethylamino)ethyl)-1H-indol-5-ol,0A31347TZK,NCGC00247724-01,3-(.beta.-Dimethylaminoethyl)-5-hydroxyindole,INDOL-5-OL, 3-(2-(DIMETHYLAMINO)ETHYL)-,N,N-Dimethyl-5-HT,EINECS 207-667-9,5-OH-DMT,BRN 0160628,DEA No. 7433,N, N-Dimethylserotonin,3-(2-dimethylaminoethyl)-1H-indol-5-ol,DMT,5-OH,DSSTox_CID_28820,DSSTox_RID_83089,DSSTox_GSID_48894,Oprea1_475603,GTPL144,5-22-12-00026 (Beilstein Handbook Reference),SCHEMBL518028,ZINC1070,DTXSID0048894,5-Hydroxy-N, N-dimethyltryptamine,NSC89593,Tox21_112890,BDBM50024206,NSC-89593,PDSP1_000007,PDSP2_000007,STK368137,AKOS005445162,Bufotenine 1.0 mg/ml in Acetonitrile,WLN: T56 BMJ D2N1&1 GQ,DB01445,VZ36427,3-[(2-Dimethylamino)ethyl]-5-indolol,3-[2-(Dimethylamino)ethyl]-Indol-5-ol,CAS-487-93-4,{3-[(2-Dimethylamino)ethyl]-5-indolol},DB-012579,FT-0623282,1H-Indol-5-ol,3-[2-(dimethylamino)ethyl]-,3-[2-(Dimethylamino)ethyl]-1H-indol-5-ol #,C08299,Indol-5-ol, {3-[2-(dimethylamino)ethyl]-},{3-[(beta-Dimethylamino)ethyl]-5-hydroxyindole},1H-Indol-5-ol, {3-[2-(dimethylamino)ethyl]-},3-[(.beta.-Dimethylamino)ethyl]-5-hydroxyindole,3-[.beta.-(Dimethylamino)ethyl]-5-hydroxyindole,L001128,Q408915,3-(2-(Dimethylamino)ethyl)-1H-indol-5-ol (ACD/Name 4.0),1,5-benzoxazepin-4(5H)-one, 2,3-dihydro-8-methoxy-2,2,5,6-tetramethyl-,8-methoxy-2,2,5,6-tetramethyl-2,3-dihydro-1,5-benzoxazepin-4(5H)-one,Bufotenine solution, 1.0 mg/mL in acetonitrile, ampule of 1 mL, certified reference material
Identifiers / External links
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CAS: 22-12-0,487-93-4
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PubChem CID: 10257
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DSS TOX CID: DTXCID0028820
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ChemSpiderID: 9839
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ChEMBL: CHEMBL416526,CHEMBL518028
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US FDA (UNII): UNII-0A31347TZK
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Wikidata (wiki): Q408915
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Chemical Entities of Biological Interest (CHEBI): CHEBI:3210
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CompTox Chemicals Dashboard (DTXSID): DTXSID0048894
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SCHEMBL: SCHEMBL518028
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TOX21 samples 2:Tox21_112890
Structure
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Smiles: CN(C)CCC1=CNC2=C1C=C(C=C2)O
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Isomeric smiles: CN(C)CCC1=CNC2=C1C=C(C=C2)O
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Inchi: InChI=1S/C12H16N2O/c1-14(2)6-5-9-8-13-12-4-3-10(15)7-11(9)12/h3-4,7-8,13,15H,5-6H2,1-2H3
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Inchikey: VTTONGPRPXSUTJ-UHFFFAOYSA-N
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2D structure:
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3D structure:
Physico-chemical properties
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Formula: C12H16N2O
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Molecular weight: 204.27
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Monoisotopic mass: 204.126263138
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Fungi
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Fungi id Species 63 Amanita mappa