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(Q82956240)
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English
[6-(Hexyloxy)-8a-methoxy-5-methyl-4,7-dioxo-1,1a,2,4,7,8,8a,8b-octahydroazireno[2',3':3,4]pyrrolo[1,2-a]indol-8-yl]methyl hydrogen carbonimidate
chemical compound
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Statements
instance of
group of stereoisomers
0 references
subclass of
chemical compound
0 references
mass
419.20563564800005
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₂₁H₂₉N₃O₆
1 reference
based on heuristic
inferred from SMILES
canonical SMILES
CCCCCCOC1=C(C)C(=O)C2=C(C1=O)C(COC(=N)O)C1(OC)C3NC3CN21
1 reference
based on heuristic
inferred from isomeric SMILES
isomeric SMILES
CCCCCCOC1=C(C)C(=O)C2=C(C1=O)[C@@H](COC(N)=O)[C@@]1(OC)C3NC3CN21
1 reference
based on heuristic
inferred from InChI
Identifiers
InChI
InChI=1S/C21H29N3O6/c1-4-5-6-7-8-29-18-11(2)16(25)15-14(17(18)26)12(10-30-20(22)27)21(28-3)19-13(23-19)9-24(15)21/h12-13,19,23H,4-10H2,1-3H3,(H2,22,27)/t12-,13?,19?,21-/m1/s1
0 references
InChIKey
QUTHQTJGEPOWFZ-QHLODZMVSA-N
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CAS Registry Number
56981-78-3
0 references
PubChem CID
42090
1 reference
stated in
PubChem
retrieved
26 December 2021
inferred from
InChIKey
UniChem compound ID
47269098
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID90972469
0 references
DSSTOX compound identifier
DTXCID901399940
0 references
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