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(Q82240036)
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English
BOC-TRP-OME
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
tryptamine alkaloid
1 reference
based on heuristic
inferred from SMILES
mass
318.15795718399994
dalton
1 reference
based on heuristic
inferred from isomeric SMILES
chemical formula
C₁₇H₂₂N₂O₄
0 references
canonical SMILES
COC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)OC(C)(C)C
1 reference
based on heuristic
inferred from isomeric SMILES
isomeric SMILES
CC(C)(C)OC(=O)N[C@@H](CC1=CNC2=CC=CC=C21)C(=O)OC
0 references
Identifiers
InChI
InChI=1S/C17H22N2O4/c1-17(2,3)23-16(21)19-14(15(20)22-4)9-11-10-18-13-8-6-5-7-12(11)13/h5-8,10,14,18H,9H2,1-4H3,(H,19,21)/t14-/m0/s1
0 references
InChIKey
QXLOVPXUZAOKBL-AWEZNQCLSA-N
0 references
CAS Registry Number
33900-28-6
0 references
PubChem CID
7021503
1 reference
matched by identifier from
InChIKey
InChIKey
QXLOVPXUZAOKBL-AWEZNQCLSA-N
UniChem compound ID
17580230
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID10427380
1 reference
matched by identifier from
InChIKey
InChIKey
QXLOVPXUZAOKBL-AWEZNQCLSA-N
DSSTOX compound identifier
DTXCID80378214
0 references
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