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(Q106042110)
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English
chlordiazepoxide tautomer
chemical compound
7-chloro-4-hydroxy-N-methyl-5-phenyl-3H-1,4-benzodiazepin-2-imine
In more languages
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Statements
instance of
type of chemical entity
0 references
subclass of
chemical compound
0 references
mass
299.082539748
dalton
1 reference
based on heuristic
inferred from InChI
tautomer of
chlordiazepoxide
0 references
chemical formula
C₁₆H₁₄ClN₃O
0 references
canonical SMILES
CN=C1CN(C(=C2C=C(C=CC2=N1)Cl)C3=CC=CC=C3)O
0 references
Identifiers
InChI
InChI=1S/C16H14ClN3O/c1-18-15-10-20(21)16(11-5-3-2-4-6-11)13-9-12(17)7-8-14(13)19-15/h2-9,21H,10H2,1H3
1 reference
stated in
ChEBI release 2021-03-01
InChIKey
BUCORZSTKDOEKQ-UHFFFAOYSA-N
1 reference
stated in
ChEBI release 2021-03-01
PubChem CID
2712
2 references
stated in
ChEBI release 2021-03-01
matched by identifier from
InChIKey
InChIKey
BUCORZSTKDOEKQ-UHFFFAOYSA-N
ChEBI ID
94781
mapping relation type
exact match
2 references
stated in
ChEBI release 2021-03-01
matched by identifier from
International Chemical Identifier
InChI
InChI=1S/C16H14ClN3O/c1-18-15-10-20(21)16(11-5-3-2-4-6-11)13-9-12(17)7-8-14(13)19-15/h2-9,21H,10H2,1H3
MassBank accession ID
MSBNK-Eawag-EQ361701
1 reference
InChIKey
BUCORZSTKDOEKQ-UHFFFAOYSA-N
stated in
MassBank/MassBank-data: release version 2022.06 to wikidata
retrieved
4 September 2022
based on heuristic
InChIKey match
MSBNK-Eawag-EQ361703
1 reference
InChIKey
BUCORZSTKDOEKQ-UHFFFAOYSA-N
stated in
MassBank/MassBank-data: release version 2022.06 to wikidata
retrieved
4 September 2022
based on heuristic
InChIKey match
MSBNK-Eawag-EQ361704
1 reference
InChIKey
BUCORZSTKDOEKQ-UHFFFAOYSA-N
stated in
MassBank/MassBank-data: release version 2022.06 to wikidata
retrieved
4 September 2022
based on heuristic
InChIKey match
MSBNK-Eawag-EQ361705
1 reference
InChIKey
BUCORZSTKDOEKQ-UHFFFAOYSA-N
stated in
MassBank/MassBank-data: release version 2022.06 to wikidata
retrieved
4 September 2022
based on heuristic
InChIKey match
MSBNK-Eawag-EQ361707
1 reference
InChIKey
BUCORZSTKDOEKQ-UHFFFAOYSA-N
stated in
MassBank/MassBank-data: release version 2022.06 to wikidata
retrieved
4 September 2022
based on heuristic
InChIKey match
MSBNK-Eawag-EQ361709
1 reference
InChIKey
BUCORZSTKDOEKQ-UHFFFAOYSA-N
stated in
MassBank/MassBank-data: release version 2022.06 to wikidata
retrieved
4 September 2022
based on heuristic
InChIKey match
MSBNK-Eawag-EQ361751
1 reference
InChIKey
BUCORZSTKDOEKQ-UHFFFAOYSA-N
stated in
MassBank/MassBank-data: release version 2022.06 to wikidata
retrieved
4 September 2022
based on heuristic
InChIKey match
MSBNK-Eawag-EQ361752
1 reference
InChIKey
BUCORZSTKDOEKQ-UHFFFAOYSA-N
stated in
MassBank/MassBank-data: release version 2022.06 to wikidata
retrieved
4 September 2022
based on heuristic
InChIKey match
MSBNK-Eawag-EQ361753
1 reference
InChIKey
BUCORZSTKDOEKQ-UHFFFAOYSA-N
stated in
MassBank/MassBank-data: release version 2022.06 to wikidata
retrieved
4 September 2022
based on heuristic
InChIKey match
MSBNK-Eawag-EQ361754
1 reference
InChIKey
BUCORZSTKDOEKQ-UHFFFAOYSA-N
stated in
MassBank/MassBank-data: release version 2022.06 to wikidata
retrieved
4 September 2022
based on heuristic
InChIKey match
MSBNK-Eawag-EQ361757
1 reference
InChIKey
BUCORZSTKDOEKQ-UHFFFAOYSA-N
stated in
MassBank/MassBank-data: release version 2022.06 to wikidata
retrieved
4 September 2022
based on heuristic
InChIKey match
MSBNK-Eawag-EQ361756
1 reference
InChIKey
BUCORZSTKDOEKQ-UHFFFAOYSA-N
stated in
MassBank/MassBank-data: release version 2022.06 to wikidata
retrieved
4 September 2022
based on heuristic
InChIKey match
MSBNK-Eawag-EQ361758
1 reference
InChIKey
BUCORZSTKDOEKQ-UHFFFAOYSA-N
stated in
MassBank/MassBank-data: release version 2022.06 to wikidata
retrieved
4 September 2022
based on heuristic
InChIKey match
MSBNK-Eawag-EQ361702
1 reference
InChIKey
BUCORZSTKDOEKQ-UHFFFAOYSA-N
stated in
MassBank/MassBank-data: release version 2022.06 to wikidata
retrieved
4 September 2022
based on heuristic
InChIKey match
MSBNK-Eawag-EQ361706
1 reference
InChIKey
BUCORZSTKDOEKQ-UHFFFAOYSA-N
stated in
MassBank/MassBank-data: release version 2022.06 to wikidata
retrieved
4 September 2022
based on heuristic
InChIKey match
MSBNK-Eawag-EQ361708
1 reference
InChIKey
BUCORZSTKDOEKQ-UHFFFAOYSA-N
stated in
MassBank/MassBank-data: release version 2022.06 to wikidata
retrieved
4 September 2022
based on heuristic
InChIKey match
MSBNK-Eawag-EQ361755
1 reference
InChIKey
BUCORZSTKDOEKQ-UHFFFAOYSA-N
stated in
MassBank/MassBank-data: release version 2022.06 to wikidata
retrieved
4 September 2022
based on heuristic
InChIKey match
DSSTox substance ID
DTXSID40861935
1 reference
matched by identifier from
InChIKey
InChIKey
BUCORZSTKDOEKQ-UHFFFAOYSA-N
Probes And Drugs ID
PD094163
0 references
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