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(Q82956233)
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English
(6-Ethoxy-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
363.14303539200006
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₁₇H₂₁N₃O₆
1 reference
based on heuristic
inferred from SMILES
canonical SMILES
CCOC1=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
CCOC1=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/C17H21N3O6/c1-4-25-14-7(2)12(21)11-10(13(14)22)8(6-26-16(18)23)17(24-3)15-9(19-15)5-20(11)17/h8-9,15,19H,4-6H2,1-3H3,(H2,18,23)/t8-,9?,15?,17-/m1/s1
0 references
InChIKey
DPRCKLSGSHYRQU-QNTWZPOASA-N
0 references
CAS Registry Number
56981-59-0
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PubChem CID
42083
1 reference
stated in
PubChem
retrieved
26 December 2021
inferred from
InChIKey
UniChem compound ID
67490940
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID70972462
0 references
DSSTOX compound identifier
DTXCID401399933
0 references
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