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Gantrez ES 425 | C11H18O5 - PubChem
`
`Page 1 of 14
`
`NIH
`
`U.S. National Library of Medicine
`
`National Center for Biotechnology Information
`
`Search Compounds
`
`
`
` Cite this Record
`
` Compound Summary for CID 6440876
`
`Gantrez ES 425
`
`
`
`
`
`STRUCTURE
`
`VENDORS
`
`PATENTS
`
`PubChem CID:
`
`6440876
`
`Chemical Names:
`
`Gantrez ES 425; Butyl ester of pvm/MA; 2-Butenedioic acid (Z)-, monobutyl ester,
`polymer with methoxyethene; 2-Butenedioic acid (2Z)-, monobutyl ester, polymer
`with methoxyethene; 25119-68-0; 2-Butenedioic acid (Z)-, polymer with
`
`methoxyethene, butyl ester   
`
`More...
`
`Molecular Formula:
`
`Molecular Weight:
`
`C H O
`11
`18
`5
`230.26 g/mol
`
`InChI Key:
`
`VVMKVFQYONGBPV-MKWAYWHRSA-N
`
`PUBCHEM
`
`
`
`COMPOUND
`
`
`
`GANTREZ ES 425
`
`Modify Date: 2017-05-20; Create Date: 2006-04-28
`
`https://pubchem.ncbi.nlm.nih.gov/compound/6440876
`
`5/26/2017
`
`MYLAN - Ex. 1025, p. 1
`
`

`

`Gantrez ES 425 | C11H18O5 - PubChem
`
`Page 2 of 14
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` Contents
`1 2D Structure
`
`2 3D Conformer
`
`3 Names and Identifiers
`
`3.1 Computed Descriptors
`
`3.1.1 IUPAC Name
`
`3.1.2 InChI
`
`3.1.3 InChI Key
`
`3.1.4 Canonical SMILES
`
`3.1.5 Isomeric SMILES
`
`3.2 Molecular Formula
`
`3.3 Other Identifiers
`
`3.3.1 CAS
`
`3.4 Synonyms
`
`3.4.1 Depositor-Supplied Synonyms
`
`4 Chemical and Physical Properties
`
`4.1 Computed Properties
`
`5 Related Records
`
`5.1 Related Compounds with Annotation
`
`5.2 Parent Compound
`
`5.3 Related Compounds
`
`5.4 Substances
`
`5.4.1 Related Substances
`
`5.4.2 Substances by Category
`
`6 Chemical Vendors
`
`https://pubchem.ncbi.nlm.nih.gov/compound/6440876
`
`5/26/2017
`
`MYLAN - Ex. 1025, p. 2
`
`

`

`Gantrez ES 425 | C11H18O5 - PubChem
`
`Page 3 of 14
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`7 Patents
`
`7.1 Depositor-Supplied Patent Identifiers
`
`8 Classification
`
`8.1 Ontologies
`
`8.1.1 WIPO IPC
`
`9 Information Sources
`
`https://pubchem.ncbi.nlm.nih.gov/compound/6440876
`
`5/26/2017
`
`MYLAN - Ex. 1025, p. 3
`
`

`

`Gantrez ES 425 | C11H18O5 - PubChem
`
`Page 4 of 14
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`1 2D Structure
`
` Search
`
` Download
`
` Get Image
`
` Magnify
`
` from PubChem
`
`https://pubchem.ncbi.nlm.nih.gov/compound/6440876
`
`5/26/2017
`
`MYLAN - Ex. 1025, p. 4
`
`

`

`Gantrez ES 425 | C11H18O5 - PubChem
`
`Page 5 of 14
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`2 3D Conformer
`
`3D Conformer of Parent Compound Monobutyl Maleate (CID 5356726)
`
` Search
`
` Download
`
` Get Image
`
`CLICK TO LOAD...
`
` Magnify
`
` Show Hydrogens
`
` Show Atoms
`
` Animate
`
` from PubChem
`
`https://pubchem.ncbi.nlm.nih.gov/compound/6440876
`
`5/26/2017
`
`MYLAN - Ex. 1025, p. 5
`
`

`

`Gantrez ES 425 | C11H18O5 - PubChem
`
`Page 6 of 14
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`3 Names and Identifiers
`
`3.1 Computed Descriptors
`
`3.1.1 IUPAC Name
`
`(Z)-4-butoxy-4-oxobut-2-enoic acid;methoxyethene
`
`3.1.2 InChI
`
`InChI=1S/C8H12O4.C3H6O/c1-2-3-6-12-8(11)5-4-7(9)10;1-3-4-2/h4-5H,2-3,6H2,1H3,(H,9,10);3H,1H2,2H3/b5-
`4-;
`
` from PubChem
`
`3.1.3 InChI Key
`
`VVMKVFQYONGBPV-MKWAYWHRSA-N
`
`3.1.4 Canonical SMILES
`
`CCCCOC(=O)C=CC(=O)O.COC=C
`
`3.1.5 Isomeric SMILES
`
`CCCCOC(=O)/C=C\C(=O)O.COC=C
`
`3.2 Molecular Formula
`
`C H O
`11
`18
`5
`
`3.3 Other Identifiers
`
` from PubChem
`
` from PubChem
`
` from PubChem
`
` from PubChem
`
` from PubChem
`
`https://pubchem.ncbi.nlm.nih.gov/compound/6440876
`
`5/26/2017
`
`MYLAN - Ex. 1025, p. 6
`
`

`

`Gantrez ES 425 | C11H18O5 - PubChem
`
`Page 7 of 14
`
`3.3.1 CAS
`
`25119-68-0
`
`3.4 Synonyms
`
` from ChemIDplus
`
`3.4.1 Depositor-Supplied Synonyms
`
`1. Gantrez ES 425
`2. Butyl ester of pvm/MA
`3. 2-Butenedioic acid (Z)-, monobutyl ester, polymer with methoxyethene
`4. 2-Butenedioic acid (2Z)-, monobutyl ester, polymer with methoxyethene
`5. 25119-68-0
`6. 2-Butenedioic acid (Z)-, polymer with methoxyethene, butyl ester
`7. UNII-389H2R62BD
`8. AC1O5UCV
`9. SCHEMBL1092748
`10. 2-Butenedioic acid (2Z)-, 1-butyl ester, polymer with methoxyethene
`
`
`11. 54578-91-5
`12. AN-17627
`13. LP006798
`14. LS-47007
`15.
`(Z)-4-butoxy-4-oxobut-2-enoic acid; methoxyethene
`16.
`(Z)-4-butoxy-4-oxo-but-2-enoic acid; methoxyethylene
`17.
`(2Z)-4-BUTOXY-4-OXOBUT-2-ENOIC ACID; METHYL VINYL ETHER
`
`
` from PubChem
`
`https://pubchem.ncbi.nlm.nih.gov/compound/6440876
`
`5/26/2017
`
`MYLAN - Ex. 1025, p. 7
`
`

`

`Gantrez ES 425 | C11H18O5 - PubChem
`
`Page 8 of 14
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`4 Chemical and Physical Properties
`
`4.1 Computed Properties
`
`Property Name
`
`Molecular Weight
`
`Hydrogen Bond Donor Count
`
`Hydrogen Bond Acceptor Count
`
`Rotatable Bond Count
`
`Complexity
`
`CACTVS Substructure Key Fingerprint
`
`Topological Polar Surface Area
`
`Monoisotopic Mass
`
`Exact Mass
`
`Compound Is Canonicalized
`
`Formal Charge
`
`Heavy Atom Count
`
`Defined Atom Stereocenter Count
`
`Undefined Atom Stereocenter Count
`
`Defined Bond Stereocenter Count
`
`Undefined Bond Stereocenter Count
`
`Isotope Atom Count
`
`Covalently-Bonded Unit Count
`
`Property Value
`
`230.26 g/mol
`
`1
`
`5
`
`7
`
`201
`
`AAADceBwOAAAAAAAAAAAAAAAAAAAAAAAAAAA
`AAAAAAAAAAAAAAAAGgAACAAACACggAICCAAAB
`gCIACDSCAAACAAAAAAICAAAAEAABAAAIAACEAA
`EAAAAMYAAAAAAAAAAAAAAAAAAAAAAAAAAAAA
`AAAAA
`
`72.8 A^2
`
`230.115 g/mol
`
`230.115 g/mol
`
`true
`
`0
`
`16
`
`0
`
`0
`
`1
`
`0
`
`0
`
`2
`
` from PubChem
`
`https://pubchem.ncbi.nlm.nih.gov/compound/6440876
`
`5/26/2017
`
`MYLAN - Ex. 1025, p. 8
`
`

`

`Gantrez ES 425 | C11H18O5 - PubChem
`
`Page 9 of 14
`
`5 Related Records
`
`5.1 Related Compounds with Annotation
`
`CLICK TO LOAD...
`
` from PubChem
`
` from PubChem
`
` from PubChem
`
`5.2 Parent Compound
`
`Parent Compound
`
`Monobutyl maleate (CID 5356726)
`
`5.3 Related Compounds
`
`Same Connectivity
`
`2 records
`
`Same Parent, Connectivity
`
`32 records
`
`Same Parent, Exact
`
`20 records
`
`Mixtures, Components, and
`Neutralized Forms
`
`2 records
`
`Similar Compounds
`
`236 records
`
`5.4 Substances
`
`5.4.1 Related Substances
`
`Same
`
`12 records
`
`https://pubchem.ncbi.nlm.nih.gov/compound/6440876
`
`5/26/2017
`
`MYLAN - Ex. 1025, p. 9
`
`

`

`Gantrez ES 425 | C11H18O5 - PubChem
`
`Page 10 of 14
`
`5.4.2 Substances by Category
`
`CLICK TO LOAD...
`
` from PubChem
`
` from PubChem
`
`https://pubchem.ncbi.nlm.nih.gov/compound/6440876
`
`5/26/2017
`
`MYLAN - Ex. 1025, p. 10
`
`

`

`Gantrez ES 425 | C11H18O5 - PubChem
`
`Page 11 of 14
`
`6 Chemical Vendors
`
`CLICK TO LOAD...
`
` from PubChem
`
`https://pubchem.ncbi.nlm.nih.gov/compound/6440876
`
`5/26/2017
`
`MYLAN - Ex. 1025, p. 11
`
`

`

`Gantrez ES 425 | C11H18O5 - PubChem
`
`Page 12 of 14
`
`7 Patents
`
`7.1 Depositor-Supplied Patent Identifiers
`
`CLICK TO LOAD...
`
` from PubChem
`
`https://pubchem.ncbi.nlm.nih.gov/compound/6440876
`
`5/26/2017
`
`MYLAN - Ex. 1025, p. 12
`
`

`

`Gantrez ES 425 | C11H18O5 - PubChem
`
`Page 13 of 14
`
`8 Classification
`
`8.1 Ontologies
`
`8.1.1 WIPO IPC
`
`CLICK TO LOAD...
`
` from WIPO
`
`https://pubchem.ncbi.nlm.nih.gov/compound/6440876
`
`5/26/2017
`
`MYLAN - Ex. 1025, p. 13
`
`

`

`Gantrez ES 425 | C11H18O5 - PubChem
`
`Page 14 of 14
`
`9 Information Sources
`
`1. ChemIDplus /source/ChemIDplus
`Gantrez ES 425
`https://chem.nlm.nih.gov/chemidplus/sid/0025119680 https://chem.nlm.nih.gov/chemidplus/sid/0025119680
`
`2. PubChem
`Data deposited in or computed by PubChem
`https://pubchem.ncbi.nlm.nih.gov https://pubchem.ncbi.nlm.nih.gov
`
`3. WIPO /source/WIPO
`International Patent Classification
`http://www.wipo.int/classifications/ipc/ http://www.wipo.int/classifications/ipc/
`
`https://pubchem.ncbi.nlm.nih.gov/compound/6440876
`
`5/26/2017
`
`MYLAN - Ex. 1025, p. 14
`
`

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