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(Q82900976)
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English
7-(Dimethylamino)-8-methoxy-9-methyl-6,7,8,9-tetrahydro-5H,14H-5,9-epoxy-4b,9a,15-triazadibenzo[b,h]cyclonona[1,2,3,4-jkl]cyclopenta[e]-as-indacen-16-ol
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
indolo[2,3-a]carbazole alkaloid
1 reference
based on heuristic
inferred from SMILES
mass
480.216140756
dalton
1 reference
based on heuristic
inferred from SMILES
stereoisomer of
N,N-Dimethylstaurosporine
2 references
based on heuristic
inferred from InChIKey
based on heuristic
inferred from InChI
chemical formula
C₂₉H₂₈N₄O₃
1 reference
based on heuristic
inferred from SMILES
canonical SMILES
COC1C(N(C)C)CC2OC1(C)n1c3ccccc3c3c4c(c5c6ccccc6n2c5c31)C(O)=NC4
1 reference
based on heuristic
inferred from isomeric SMILES
isomeric SMILES
CO[C@H]1[C@H](N(C)C)C[C@H]2O[C@]1(C)n1c3ccccc3c3c4c(c5c6ccccc6n2c5c31)C(=O)NC4
1 reference
based on heuristic
inferred from InChI
Identifiers
InChI
InChI=1S/C29H28N4O3/c1-29-27(35-4)20(31(2)3)13-21(36-29)32-18-11-7-5-9-15(18)23-24-17(14-30-28(24)34)22-16-10-6-8-12-19(16)33(29)26(22)25(23)32/h5-12,20-21,27H,13-14H2,1-4H3,(H,30,34)/t20-,21-,27+,29+/m1/s1
0 references
InChIKey
NJFTXXMZGIINOF-RIGRGULHSA-N
0 references
CAS Registry Number
129623-30-9
0 references
PubChem CID
131110
2 references
stated in
PubChem
retrieved
26 December 2021
inferred from
InChIKey
matched by identifier from
InChIKey
InChIKey
NJFTXXMZGIINOF-RIGRGULHSA-N
UniChem compound ID
31757412
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID50926448
1 reference
matched by identifier from
InChIKey
InChIKey
NJFTXXMZGIINOF-RIGRGULHSA-N
DSSTOX compound identifier
DTXCID901355263
0 references
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