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(Q106042109)
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English
olanzapine tautomer
chemical compound
(3aS,7aS)-3a,7a-ジメチル-4,5,6,7-テトラヒドロ-3H-1-ベンゾラン-2-オン
2-メチル-4-(4-メチル-1-ピペラジニル)-5H-チエノ[3,2-c][1,5]ベンゾジアゼピン
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Statements
instance of
type of chemical entity
0 references
subclass of
chemical compound
0 references
mass
312.14086764
dalton
1 reference
based on heuristic
inferred from SMILES
tautomer of
olanzapine
0 references
chemical formula
C₁₇H₂₀N₄S
0 references
canonical SMILES
Cc1cc2c(s1)=Nc1ccccc1NC=2N1CCN(C)CC1
1 reference
based on heuristic
inferred from InChI
Identifiers
InChI
InChI=1S/C17H20N4S/c1-12-11-13-16(21-9-7-20(2)8-10-21)18-14-5-3-4-6-15(14)19-17(13)22-12/h3-6,11,18H,7-10H2,1-2H3
1 reference
stated in
ChEBI release 2021-03-01
InChIKey
WXPNDRBBWZMPQG-UHFFFAOYSA-N
1 reference
stated in
ChEBI release 2021-03-01
PubChem CID
135398745
reason for deprecated rank
applies to other chemical entity
1 reference
stated in
ChEBI release 2021-03-01
ChEBI ID
94534
mapping relation type
exact match
1 reference
stated in
ChEBI release 2021-03-01
MassBank accession ID
MSBNK-Eawag-EQ369701
1 reference
InChIKey
WXPNDRBBWZMPQG-UHFFFAOYSA-N
stated in
MassBank/MassBank-data: release version 2022.06 to wikidata
retrieved
4 September 2022
based on heuristic
InChIKey match
MSBNK-Eawag-EQ369702
1 reference
InChIKey
WXPNDRBBWZMPQG-UHFFFAOYSA-N
stated in
MassBank/MassBank-data: release version 2022.06 to wikidata
retrieved
4 September 2022
based on heuristic
InChIKey match
MSBNK-Eawag-EQ369703
1 reference
InChIKey
WXPNDRBBWZMPQG-UHFFFAOYSA-N
stated in
MassBank/MassBank-data: release version 2022.06 to wikidata
retrieved
4 September 2022
based on heuristic
InChIKey match
MSBNK-Eawag-EQ369704
1 reference
InChIKey
WXPNDRBBWZMPQG-UHFFFAOYSA-N
stated in
MassBank/MassBank-data: release version 2022.06 to wikidata
retrieved
4 September 2022
based on heuristic
InChIKey match
MSBNK-Eawag-EQ369705
1 reference
InChIKey
WXPNDRBBWZMPQG-UHFFFAOYSA-N
stated in
MassBank/MassBank-data: release version 2022.06 to wikidata
retrieved
4 September 2022
based on heuristic
InChIKey match
MSBNK-Eawag-EQ369707
1 reference
InChIKey
WXPNDRBBWZMPQG-UHFFFAOYSA-N
stated in
MassBank/MassBank-data: release version 2022.06 to wikidata
retrieved
4 September 2022
based on heuristic
InChIKey match
MSBNK-Eawag-EQ369709
1 reference
InChIKey
WXPNDRBBWZMPQG-UHFFFAOYSA-N
stated in
MassBank/MassBank-data: release version 2022.06 to wikidata
retrieved
4 September 2022
based on heuristic
InChIKey match
MSBNK-Eawag-EQ369706
1 reference
InChIKey
WXPNDRBBWZMPQG-UHFFFAOYSA-N
stated in
MassBank/MassBank-data: release version 2022.06 to wikidata
retrieved
4 September 2022
based on heuristic
InChIKey match
MSBNK-Eawag-EQ369708
1 reference
InChIKey
WXPNDRBBWZMPQG-UHFFFAOYSA-N
stated in
MassBank/MassBank-data: release version 2022.06 to wikidata
retrieved
4 September 2022
based on heuristic
InChIKey match
Probes And Drugs ID
PD051011
0 references
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