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phenestrol
chemical compound
fenestrol
hexestrol bis[4-[bis(2-chloroethyl)amino]phenylacetate
NSC-183736
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Statements
instance of
type of chemical entity
0 references
subclass of
chemical compound
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chemical structure
Phenestrol.svg
3,420 × 955; 42 KB
0 references
mass
784.236818736
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₄₂H₄₈Cl₄N₂O₄
1 reference
based on heuristic
inferred from SMILES
canonical SMILES
CCC(c1ccc(OC(=O)Cc2ccc(N(CCCl)CCCl)cc2)cc1)C(CC)c1ccc(OC(=O)Cc2ccc(N(CCCl)CCCl)cc2)cc1
1 reference
based on heuristic
inferred from InChI
Identifiers
InChI
InChI=1S/C42H48Cl4N2O4/c1-3-39(33-9-17-37(18-10-33)51-41(49)29-31-5-13-35(14-6-31)47(25-21-43)26-22-44)40(4-2)34-11-19-38(20-12-34)52-42(50)30-32-7-15-36(16-8-32)48(27-23-45)28-24-46/h5-20,39-40H,3-4,21-30H2,1-2H3
1 reference
reference URL
https://pubchem.ncbi.nlm.nih.gov/compound/161290
retrieved
April 2018
InChIKey
GTWGWCYJKHSRHO-UHFFFAOYSA-N
1 reference
stated in
PubChem
CAS Registry Number
19659-38-2
1 reference
InChIKey
GTWGWCYJKHSRHO-UHFFFAOYSA-N
stated in
CAS Common Chemistry
retrieved
10 April 2021
reference URL
https://commonchemistry.cas.org/detail?cas_rn=19659-38-2
PubChem CID
161290
2 references
imported from Wikimedia project
English Wikipedia
matched by identifier from
InChIKey
InChIKey
GTWGWCYJKHSRHO-UHFFFAOYSA-N
UniChem compound ID
32036948
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID60941425
1 reference
matched by identifier from
InChIKey
InChIKey
GTWGWCYJKHSRHO-UHFFFAOYSA-N
DSSTOX compound identifier
DTXCID701369858
0 references
Google Knowledge Graph ID
/g/11c57jm4w1
0 references
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Phenestrol
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