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(Q105313815)
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English
(6aR,9R)-N-[(2R)-1-hydroxypropan-2-yl]-7-methyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
(4S,7R)-N-(1-hydroxypropan-2-yl)-6-methyl-6,11-diazatetracyclo[7.6.1.0²,⁷.0¹²,¹⁶]hexadeca-1(16),2,9,12,14-pentaene-4-carboximidic acid
1 reference
based on heuristic
inferred from SMILES
mass
325.179026976
dalton
1 reference
based on heuristic
inferred from SMILES
stereoisomer of
ergometrinine
2 references
based on heuristic
inferred from InChIKey
based on heuristic
inferred from InChI
(6aR,9S)-N-[(2R)-1-hydroxypropan-2-yl]-7-methyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide
2 references
based on heuristic
inferred from InChIKey
based on heuristic
inferred from InChI
ergometrine
2 references
based on heuristic
inferred from InChIKey
based on heuristic
inferred from InChI
chemical formula
C₁₉H₂₃N₃O₂
0 references
canonical SMILES
CC(CO)NC(=O)C1C=C2c3cccc4[nH]cc(c34)CC2N(C)C1
0 references
isomeric SMILES
C[C@H](CO)NC(=O)[C@@H]1C=C2c3cccc4[nH]cc(c34)C[C@H]2N(C)C1
0 references
found in taxon
Stictocardia tiliifolia
1 reference
stated in
Isolation and Identification of Ergoline Alkaloids from Seeds of Stictocardia campanulata (L.) Merrill
Identifiers
InChI
InChI=1S/C19H23N3O2/c1-11(10-23)21-19(24)13-6-15-14-4-3-5-16-18(14)12(8-20-16)7-17(15)22(2)9-13/h3-6,8,11,13,17,20,23H,7,9-10H2,1-2H3,(H,21,24)/t11-,13-,17-/m1/s1
0 references
InChIKey
WVVSZNPYNCNODU-CJBNDPTMSA-N
0 references
PubChem CID
6071
2 references
stated in
PubChem
retrieved
17 September 2022
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
WVVSZNPYNCNODU-CJBNDPTMSA-N
UniChem compound ID
1078472
1 reference
stated in
UniChem
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