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(1R,3S,5S)-8-azabicyclo[3.2.1]octan-3-yl (2S)-3-hydroxy-2-phenylpropanoate
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
Noratropine
1 reference
based on heuristic
inferred from SMILES
Benzeneacetic acid, alpha-(hydroxymethyl)-, (3-endo)-8-azabicyclo(3.2.1)oct-3-yl ester
1 reference
based on heuristic
inferred from SMILES
mass
275.152143532
dalton
1 reference
based on heuristic
inferred from SMILES
stereoisomer of
(1R,3R,5S)-8-azabicyclo[3.2.1]octan-3-yl (2R)-3-hydroxy-2-phenylpropanoate
2 references
based on heuristic
inferred from InChIKey
based on heuristic
inferred from InChI
(1R,3S,5S)-8-azabicyclo[3.2.1]octan-3-yl (2R)-3-hydroxy-2-phenylpropanoate
1 reference
based on heuristic
inferred from InChI
chemical formula
C₁₆H₂₁NO₃
0 references
canonical SMILES
O=C(OC1CC2NC(CC2)C1)C(C=3C=CC=CC3)CO
0 references
isomeric SMILES
O=C(O[C@@H]1C[C@@H]2CC[C@H](C1)N2)[C@H](CO)c1ccccc1
0 references
found in taxon
Datura discolor
1 reference
stated in
The alkaloids of Datura meteloides D.C.
Datura innoxia
1 reference
stated in
The alkaloids of Datura meteloides D.C.
Datura inoxia
1 reference
stated in
The alkaloids of Datura meteloides D.C.
Mandragora turcomanica
1 reference
stated in
Substances isolated from Mandragora species
Mandragora officinarum
1 reference
stated in
Substances isolated from Mandragora species
Identifiers
InChI
InChI=1S/C16H21NO3/c18-10-15(11-4-2-1-3-5-11)16(19)20-14-8-12-6-7-13(9-14)17-12/h1-5,12-15,17-18H,6-10H2/t12-,13+,14+,15-/m1/s1
0 references
InChIKey
ATKYNAZQGVYHIB-CBBWQLFWSA-N
0 references
CAS Registry Number
537-29-1
1 reference
stated in
CAS (formerly Chemical Abstracts Service)
retrieved
25 January 2022
DSSTox substance ID
DTXSID501317263
1 reference
matched by identifier from
InChIKey
InChIKey
ATKYNAZQGVYHIB-CBBWQLFWSA-N
UNII
855F02C19L
1 reference
matched by identifier from
InChIKey
InChIKey
ATKYNAZQGVYHIB-CBBWQLFWSA-N
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