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(Q106010224)
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English
(S)-clobenzorex
chemical compound
diazynediium
In more languages
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No label defined
No description defined
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Statements
instance of
type of chemical entity
0 references
subclass of
(RS)-clobenzorex
0 references
mass
259.112777256
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₁₆H₁₈ClN
1 reference
based on heuristic
inferred from SMILES
canonical SMILES
CC(Cc1ccccc1)NCc1ccccc1Cl
1 reference
based on heuristic
inferred from isomeric SMILES
isomeric SMILES
C[C@@H](Cc1ccccc1)NCc1ccccc1Cl
1 reference
based on heuristic
inferred from InChI
Identifiers
InChI
InChI=1S/C16H18ClN/c1-13(11-14-7-3-2-4-8-14)18-12-15-9-5-6-10-16(15)17/h2-10,13,18H,11-12H2,1H3/t13-/m0/s1
1 reference
stated in
ChEBI release 2021-03-01
InChIKey
LRXXRIXDSAEIOR-ZDUSSCGKSA-N
1 reference
stated in
ChEBI release 2021-03-01
CAS Registry Number
13364-32-4
1 reference
stated in
CAS (formerly Chemical Abstracts Service)
retrieved
25 January 2022
PubChem CID
735998
2 references
stated in
ChEBI release 2021-03-01
matched by identifier from
InChIKey
InChIKey
LRXXRIXDSAEIOR-ZDUSSCGKSA-N
ChEBI ID
135069
mapping relation type
exact match
2 references
stated in
ChEBI release 2021-03-01
matched by identifier from
International Chemical Identifier
InChI
InChI=1S/C16H18ClN/c1-13(11-14-7-3-2-4-8-14)18-12-15-9-5-6-10-16(15)17/h2-10,13,18H,11-12H2,1H3/t13-/m0/s1
UniChem compound ID
9976261
1 reference
stated in
UniChem
DrugBank ID
DB13561
1 reference
matched by identifier from
InChIKey
InChIKey
LRXXRIXDSAEIOR-ZDUSSCGKSA-N
UNII
4A5352XI2A
1 reference
matched by identifier from
InChIKey
InChIKey
LRXXRIXDSAEIOR-ZDUSSCGKSA-N
Probes And Drugs ID
PD073474
0 references
DrugCentral ID
684
1 reference
stated in
UniChem
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