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bisulepin (Q4918616)

From Wikidata
chemical compound
  • bisulepine
  • (3E)-N,N-Dimethyl-3-(5H-thieno[2,3-c][2]benzothiepin-10-ylidene)propan-1-amine
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    English
    bisulepin
    chemical compound
    • bisulepine
    • (3E)-N,N-Dimethyl-3-(5H-thieno[2,3-c][2]benzothiepin-10-ylidene)propan-1-amine

    Statements

    chemical structure
    Bisulepine.png
    628 × 750; 12 KB
    0 references
    mass
    301.09589160800004 dalton
    1 reference
    based on heuristic
    inferred from isomeric SMILES
    chemical formula
    C₁₇H₁₉NS₂
    1 reference
    stated in
    PubChem
    canonical SMILES
    CN(C)CCC=C1C2=C(SCC3=CC=CC=C31)SC=C2
    1 reference
    stated in
    PubChem
    title
    (3E)-N,N-Dimethyl-3-(5H-thieno[2,3-c][2]benzothiepin-10-ylidene)propan-1-amine (English)
    retrieved
    5 February 2019
    PubChem CID
    6436111
    isomeric SMILES
    CN(C)CC/C=C\1/C2=C(SCC3=CC=CC=C31)SC=C2
    1 reference
    stated in
    PubChem
    title
    (3E)-N,N-Dimethyl-3-(5H-thieno[2,3-c][2]benzothiepin-10-ylidene)propan-1-amine (English)
    retrieved
    5 February 2019
    PubChem CID
    6436111
    Commons category
    Bisulepin
    0 references

    Identifiers

    InChI
    InChI=1S/C17H19NS2/c1-18(2)10-5-8-15-14-7-4-3-6-13(14)12-20-17-16(15)9-11-19-17/h3-4,6-9,11H,5,10,12H2,1-2H3/b15-8+
    1 reference
    stated in
    PubChem
    title
    (3E)-N,N-Dimethyl-3-(5H-thieno[2,3-c][2]benzothiepin-10-ylidene)propan-1-amine (English)
    retrieved
    5 February 2019
    PubChem CID
    6436111
    InChIKey
    ZLJLUTCIUOCIQM-OVCLIPMQSA-N
    1 reference
    stated in
    PubChem
    title
    (3E)-N,N-Dimethyl-3-(5H-thieno[2,3-c][2]benzothiepin-10-ylidene)propan-1-amine (English)
    retrieved
    5 February 2019
    PubChem CID
    6436111
    PubChem CID
    6436111
    2 references
    stated in
    PubChem
    title
    (3E)-N,N-Dimethyl-3-(5H-thieno[2,3-c][2]benzothiepin-10-ylidene)propan-1-amine (English)
    retrieved
    5 February 2019
    PubChem CID
    6436111
    matched by identifier from
    InChIKey
    InChIKey
    ZLJLUTCIUOCIQM-OVCLIPMQSA-N
    EC number
    227-353-5
    1 reference
    stated in
    ECHA Substance Infocard database
    ECHA Substance Infocard ID
    100.024.867
    retrieved
    27 December 2018
    title
    N,N-dimethyl-3-thieno[2,3-c][2]benzothiepin-4(9H)-ylidenepropylamine (English)
    quotation
    CAS no.: 5802-61-9 (English)
    ECHA Substance Infocard ID
    100.024.867
    1 reference
    stated in
    ECHA Substance Infocard database
    ECHA Substance Infocard ID
    100.024.867
    retrieved
    27 December 2018
    title
    N,N-dimethyl-3-thieno[2,3-c][2]benzothiepin-4(9H)-ylidenepropylamine (English)
    quotation
    CAS no.: 5802-61-9 (English)
    Freebase ID
    /m/05q7n7z
    0 references
     
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