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(Q82909681)
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English
6-[2-(2H-Tetrazol-5-yl)ethyl]decahydroisoquinoline-3-carboxylic acid
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
chemical compound
0 references
mass
279.169524912
dalton
1 reference
based on heuristic
inferred from isomeric SMILES
stereoisomer of
tezampanel
1 reference
based on heuristic
inferred from InChI
chemical formula
C₁₃H₂₁N₅O₂
0 references
canonical SMILES
O=C(O)C1CC2CC(CCc3nn[nH]n3)CCC2CN1
1 reference
based on heuristic
inferred from isomeric SMILES
isomeric SMILES
C1C[C@@H]2CN[C@H](C[C@@H]2C[C@@H]1CCC3=NNN=N3)C(=O)O
0 references
Identifiers
InChI
InChI=1S/C13H21N5O2/c19-13(20)11-6-10-5-8(1-3-9(10)7-14-11)2-4-12-15-17-18-16-12/h8-11,14H,1-7H2,(H,19,20)(H,15,16,17,18)/t8-,9+,10-,11+/m0/s1
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InChIKey
ZXFRFPSZAKNPQQ-ZRUFSTJUSA-N
0 references
CAS Registry Number
150010-68-7
0 references
PubChem CID
9817134
1 reference
matched by identifier from
InChIKey
InChIKey
ZXFRFPSZAKNPQQ-ZRUFSTJUSA-N
UniChem compound ID
422672
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID50933854
0 references
DSSTOX compound identifier
DTXCID401362510
0 references
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