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(Q82070567)
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English
[2-(tert-butylcarbamoyloxymethyl)-3-(3,4-dichlorophenyl)-6,7-dihydro-5H-pyrrolizin-1-yl]methyl N-tert-butylcarbamate
chemical compound
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Statements
instance of
type of chemical entity
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subclass of
chemical compound
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mass
509.184811896
dalton
1 reference
based on heuristic
inferred from InChI
chemical formula
C₂₅H₃₃Cl₂N₃O₄
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canonical SMILES
CC(C)(C)NC(=O)OCC1=C2CCCN2C(=C1COC(=O)NC(C)(C)C)C3=CC(=C(C=C3)Cl)Cl
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Identifiers
InChI
InChI=1S/C25H33Cl2N3O4/c1-24(2,3)28-22(31)33-13-16-17(14-34-23(32)29-25(4,5)6)21(30-11-7-8-20(16)30)15-9-10-18(26)19(27)12-15/h9-10,12H,7-8,11,13-14H2,1-6H3,(H,28,31)(H,29,32)
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InChIKey
HTYMNJCWUGUEDX-UHFFFAOYSA-N
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CAS Registry Number
74296-45-0
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PubChem CID
327989
1 reference
matched by identifier from
InChIKey
InChIKey
HTYMNJCWUGUEDX-UHFFFAOYSA-N
UniChem compound ID
45934126
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID20316610
1 reference
matched by identifier from
InChIKey
InChIKey
HTYMNJCWUGUEDX-UHFFFAOYSA-N
DSSTOX compound identifier
DTXCID60267733
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NSC number
305254
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