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English
2-{[2-{[(6-aminohexanoyl)oxy]methyl}-2-(hydroxymethyl)butoxy]carbonyl}cyclohexanecarboxylic acid
chemical compound
1,2-Cyclohexanedicarboxylic acid, 1-[2-[[(6-amino-1-oxohexyl)oxy]methyl]-2-(hydroxymethyl)butyl] ester
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Statements
instance of
type of chemical entity
0 references
subclass of
chemical compound
0 references
mass
401.4952
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₂₀H₃₅NO₇
1 reference
based on heuristic
inferred from SMILES
canonical SMILES
CCC(CO)(COC(=O)CCCCCN)COC(=O)C1CCCCC1C(=O)O
0 references
Identifiers
InChI
InChI=1S/C20H35NO7/c1-2-20(12-22,13-27-17(23)10-4-3-7-11-21)14-28-19(26)16-9-6-5-8-15(16)18(24)25/h15-16,22H,2-14,21H2,1H3,(H,24,25)
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InChIKey
CPEPBVDDMUAZAA-UHFFFAOYSA-N
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CAS Registry Number
7142-98-5
reason for deprecated rank
applies to other chemical entity
0 references
69178-39-8
1 reference
InChIKey
CPEPBVDDMUAZAA-UHFFFAOYSA-N
stated in
CAS Common Chemistry
retrieved
9 April 2021
reference URL
https://commonchemistry.cas.org/detail?cas_rn=69178-39-8
PubChem CID
112142
1 reference
stated in
PubChem
retrieved
26 December 2021
inferred from
InChIKey
UniChem compound ID
49020883
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID30276115
0 references
DTXSID00887651
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DSSTOX compound identifier
DTXCID30227465
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DTXCID10876399
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NSC number
42150
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