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(Q76295196)
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English
(3E)-3-(6H-benzo[c][1]benzothiepin-11-ylidene)-N,N-dimethylpropan-1-amine
chemical compound
trans-dothiepin
(E)-dothiepin
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Statements
instance of
type of chemical entity
0 references
subclass of
dothiepin
0 references
mass
295.139470672
dalton
1 reference
based on heuristic
inferred from isomeric SMILES
chemical formula
C₁₉H₂₁NS
0 references
canonical SMILES
CN(C)CCC=C1C2=CC=CC=C2CSC3=CC=CC=C31
0 references
isomeric SMILES
CN(C)CC/C=C/1\C2=CC=CC=C2CSC3=CC=CC=C31
0 references
Identifiers
InChI
InChI=1S/C19H21NS/c1-20(2)13-7-11-17-16-9-4-3-8-15(16)14-21-19-12-6-5-10-18(17)19/h3-6,8-12H,7,13-14H2,1-2H3/b17-11+
0 references
InChIKey
PHTUQLWOUWZIMZ-GZTJUZNOSA-N
0 references
CAS Registry Number
25627-37-6
1 reference
stated in
SciFinder
PubChem CID
5284550
0 references
ChEBI ID
36803
mapping relation type
exact match
1 reference
stated in
ChEBI release 2021-03-01
UniChem compound ID
685981
1 reference
stated in
UniChem
Probes And Drugs ID
PD013128
0 references
DrugCentral ID
951
1 reference
stated in
UniChem
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