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(Q82908990)
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English
[6-(Hexylamino)-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 C₂₁H₃₀N₄O₅
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Statements
instance of
group of stereoisomers
0 references
subclass of
chemical compound
0 references
mass
418.22162006
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₂₁H₃₀N₄O₅
1 reference
based on heuristic
inferred from SMILES
canonical SMILES
CCCCCCNC1=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
CCCCCCNC1=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/C21H30N4O5/c1-4-5-6-7-8-23-15-11(2)17(26)16-14(18(15)27)12(10-30-20(22)28)21(29-3)19-13(24-19)9-25(16)21/h12-13,19,23-24H,4-10H2,1-3H3,(H2,22,28)/t12-,13?,19?,21-/m1/s1
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InChIKey
BXNROVYWPQUAQT-QHLODZMVSA-N
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CAS Registry Number
14769-03-0
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PubChem CID
26878
1 reference
stated in
PubChem
retrieved
26 December 2021
inferred from
InChIKey
UniChem compound ID
43871564
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID00933187
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DSSTOX compound identifier
DTXCID501361858
0 references
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