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(Q112112717)
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English
trazpiroben
chemical compound
TAK-906
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No description defined
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Statements
instance of
type of chemical entity
0 references
subclass of
chemical compound
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chemical structure
Trazpiroben.svg
1,608 × 1,040; 28 KB
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mass
517.294056728
dalton
1 reference
based on heuristic
inferred from InChI
chemical formula
C₃₁H₃₉N₃O₄
1 reference
based on heuristic
inferred from SMILES
canonical SMILES
C1CCC(CC1)N2CN(C(=O)C23CCN(CC3)CCCC(=O)C4=CC=CC=C4)CC5=CC(=CC=C5)C(=O)O
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Identifiers
InChI
InChI=1S/C31H39N3O4/c35-28(25-10-3-1-4-11-25)15-8-18-32-19-16-31(17-20-32)30(38)33(23-34(31)27-13-5-2-6-14-27)22-24-9-7-12-26(21-24)29(36)37/h1,3-4,7,9-12,21,27H,2,5-6,8,13-20,22-23H2,(H,36,37)
0 references
InChIKey
BDXJYAAYLZTLEK-UHFFFAOYSA-N
0 references
CAS Registry Number
1352993-39-5
0 references
PubChem CID
54768846
1 reference
matched by identifier from
InChIKey
InChIKey
BDXJYAAYLZTLEK-UHFFFAOYSA-N
SureChEMBL ID
SCHEMBL318454
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
BDXJYAAYLZTLEK-UHFFFAOYSA-N
UniChem compound ID
31338807
1 reference
stated in
UniChem
UNII
FH87H57Q4Y
1 reference
matched by identifier from
InChIKey
InChIKey
BDXJYAAYLZTLEK-UHFFFAOYSA-N
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Trazpiroben
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