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(Q82942134)
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English
[6-(Dimethylamino)-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
group of stereoisomers with the chemical formula C₁₇H₂₂N₄O₅
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Statements
instance of
group of stereoisomers
0 references
subclass of
chemical compound
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mass
362.15901980399997
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₁₇H₂₂N₄O₅
1 reference
based on heuristic
inferred from SMILES
canonical SMILES
COC12C(COC(=N)O)C3=C(C(=O)C(C)=C(N(C)C)C3=O)N1CC1NC12
1 reference
based on heuristic
inferred from isomeric SMILES
isomeric SMILES
CO[C@]12C3NC3CN1C1=C(C(=O)C(N(C)C)=C(C)C1=O)[C@H]2COC(N)=O
1 reference
based on heuristic
inferred from InChI
Identifiers
InChI
InChI=1S/C17H22N4O5/c1-7-11(20(2)3)14(23)10-8(6-26-16(18)24)17(25-4)15-9(19-15)5-21(17)12(10)13(7)22/h8-9,15,19H,5-6H2,1-4H3,(H2,18,24)/t8-,9?,15?,17-/m1/s1
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InChIKey
DRCNXQMGFFOXLK-QNTWZPOASA-N
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CAS Registry Number
4049-15-4
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PubChem CID
19963
1 reference
stated in
PubChem
retrieved
26 December 2021
inferred from
InChIKey
UniChem compound ID
60566590
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID80960870
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DSSTOX compound identifier
DTXCID101388711
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