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(Q72450110)
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English
(4S)-7-Chloro-4-ethyl-4-hydroxy-7,8-dihydro-1H-pyrano[3,4-f]indolizine-3,6,10(4H)-trione
group of stereoisomers with the chemical formula C₁₃H₁₂ClNO₅
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Statements
instance of
group of stereoisomers
0 references
subclass of
chemical compound
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mass
297.040400164
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₁₃H₁₂ClNO₅
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canonical SMILES
CCC1(O)C(=O)OCc2c1cc1n(c2=O)CC(Cl)C1=O
1 reference
based on heuristic
inferred from isomeric SMILES
isomeric SMILES
CC[C@@]1(O)C(=O)OCc2c1cc1n(c2=O)CC(Cl)C1=O
1 reference
based on heuristic
inferred from InChI
Identifiers
InChI
InChI=1S/C13H12ClNO5/c1-2-13(19)7-3-9-10(16)8(14)4-15(9)11(17)6(7)5-20-12(13)18/h3,8,19H,2,4-5H2,1H3/t8?,13-/m0/s1
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InChIKey
YNXWNUDKQUAYNE-RLROJCQXSA-N
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CAS Registry Number
748799-31-7
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PubChem CID
10266669
2 references
stated in
PubChem
retrieved
26 December 2021
inferred from
InChIKey
matched by identifier from
InChIKey
InChIKey
YNXWNUDKQUAYNE-RLROJCQXSA-N
UniChem compound ID
33044153
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID70437642
1 reference
matched by identifier from
InChIKey
InChIKey
YNXWNUDKQUAYNE-RLROJCQXSA-N
DSSTOX compound identifier
DTXCID50388466
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