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(Q82904926)
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English
4-{[3-Hydroxyestra-1(10),2,4-trien-17-yl]amino}butanoic acid
group of stereoisomers with the chemical formula C₂₂H₃₁NO₃
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Statements
instance of
group of stereoisomers
0 references
subclass of
chemical compound
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mass
357.23039385199996
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₂₂H₃₁NO₃
1 reference
based on heuristic
inferred from SMILES
canonical SMILES
CC12CCC3c4ccc(O)cc4CCC3C1CCC2NCCCC(=O)O
1 reference
based on heuristic
inferred from isomeric SMILES
isomeric SMILES
C[C@]12CCC3c4ccc(O)cc4CCC3C1CC[C@@H]2NCCCC(=O)O
1 reference
based on heuristic
inferred from InChI
Identifiers
InChI
InChI=1S/C22H31NO3/c1-22-11-10-17-16-7-5-15(24)13-14(16)4-6-18(17)19(22)8-9-20(22)23-12-2-3-21(25)26/h5,7,13,17-20,23-24H,2-4,6,8-12H2,1H3,(H,25,26)/t17?,18?,19?,20-,22-/m0/s1
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InChIKey
XVHWIBHQOHTZNS-LPUGWFBSSA-N
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CAS Registry Number
137525-09-8
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PubChem CID
192283
1 reference
stated in
PubChem
retrieved
26 December 2021
inferred from
InChIKey
UniChem compound ID
60349042
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID10929814
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DSSTOX compound identifier
DTXCID401358555
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