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(Q106042010)
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English
(5R)-8-chloro-3-methyl-5-phenyl-1,2,4,5-tetrahydro-3-benzazepin-7-ol
chemical compound
3'-Demethylstaurosporine
(5S,6R,7R,9R)-6-hydroxy-5-methyl-7-methylamino-6,7,8,9,15,16-hexahydro-5H,14H-5,9-epoxy-4b,9a,15-triazadibenzo[b,h]cyclonona[1,2,3,4-jkl]cyclopenta[e]-as-indacen-14-one
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Statements
instance of
type of chemical entity
0 references
subclass of
chemical compound
0 references
mass
287.107691876
dalton
1 reference
based on heuristic
inferred from SMILES
stereoisomer of
(+)-SCH-23390
1 reference
based on heuristic
inferred from InChI
chemical formula
C₁₇H₁₈ClNO
1 reference
based on heuristic
inferred from SMILES
canonical SMILES
CN1CCc2cc(Cl)c(O)cc2C(c2ccccc2)C1
1 reference
based on heuristic
inferred from isomeric SMILES
isomeric SMILES
CN1CCc2cc(Cl)c(O)cc2[C@@H](c2ccccc2)C1
1 reference
based on heuristic
inferred from InChI
Identifiers
InChI
InChI=1S/C17H18ClNO/c1-19-8-7-13-9-16(18)17(20)10-14(13)15(11-19)12-5-3-2-4-6-12/h2-6,9-10,15,20H,7-8,11H2,1H3/t15-/m1/s1
1 reference
stated in
ChEBI release 2021-03-01
InChIKey
GOTMKOSCLKVOGG-OAHLLOKOSA-N
1 reference
stated in
ChEBI release 2021-03-01
CAS Registry Number
87075-17-0
1 reference
stated in
CAS (formerly Chemical Abstracts Service)
retrieved
25 January 2022
PubChem CID
3036864
2 references
stated in
ChEBI release 2021-03-01
matched by identifier from
InChIKey
InChIKey
GOTMKOSCLKVOGG-OAHLLOKOSA-N
ChEBI ID
92798
mapping relation type
exact match
2 references
stated in
ChEBI release 2021-03-01
matched by identifier from
International Chemical Identifier
InChI
InChI=1S/C17H18ClNO/c1-19-8-7-13-9-16(18)17(20)10-14(13)15(11-19)12-5-3-2-4-6-12/h2-6,9-10,15,20H,7-8,11H2,1H3/t15-/m1/s1
UniChem compound ID
247055
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID40873376
1 reference
matched by identifier from
InChIKey
InChIKey
GOTMKOSCLKVOGG-OAHLLOKOSA-N
UNII
UGT5535REQ
1 reference
matched by identifier from
InChIKey
InChIKey
GOTMKOSCLKVOGG-OAHLLOKOSA-N
Probes And Drugs ID
PD071059
0 references
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