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Also known as: 146447-26-9, (z)-2-[4-[[4-(1-piperidinylmethyl)-2-pyridinyl]oxy]-2-butenyl]-1h-isoindole-1,3(2h)-dione maleate, (z)-but-2-enedioic acid;2-[(z)-4-[4-(piperidin-1-ylmethyl)pyridin-2-yl]oxybut-2-enyl]isoindole-1,3-dione, (z)-2-(4-((4-(piperidin-1-ylmethyl)pyridin-2-yl)-oxy)but-2-en-1-yl)isoindoline-1,3-dione maleate, N-{4-[4-(piperidinomethyl)pyridyl-2-oxy]-cis-2-butene}phthalimide maleate, (z)-2-(4-(4-(piperidin-1-ylmethyl)pyridin-2-yloxy)but-2-enyl)isoindoline-1,3-dione maleate
Molecular Formula
C27H29N3O7
Molecular Weight
507.5  g/mol
InChI Key
CKMFWYSSYXTDBF-LISDAYIUSA-N

CKMFWYSSYXTDBF-LISDAYIUSA-N
1 2D Structure

CKMFWYSSYXTDBF-LISDAYIUSA-N

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
(Z)-but-2-enedioic acid;2-[(Z)-4-[4-(piperidin-1-ylmethyl)pyridin-2-yl]oxybut-2-enyl]isoindole-1,3-dione
2.1.2 InChI
InChI=1S/C23H25N3O3.C4H4O4/c27-22-19-8-2-3-9-20(19)23(28)26(22)14-6-7-15-29-21-16-18(10-11-24-21)17-25-12-4-1-5-13-25;5-3(6)1-2-4(7)8/h2-3,6-11,16H,1,4-5,12-15,17H2;1-2H,(H,5,6)(H,7,8)/b7-6-;2-1-
2.1.3 InChI Key
CKMFWYSSYXTDBF-LISDAYIUSA-N
2.1.4 Canonical SMILES
C1CCN(CC1)CC2=CC(=NC=C2)OCC=CCN3C(=O)C4=CC=CC=C4C3=O.C(=CC(=O)O)C(=O)O
2.1.5 Isomeric SMILES
C1CCN(CC1)CC2=CC(=NC=C2)OC/C=C\CN3C(=O)C4=CC=CC=C4C3=O.C(=C\C(=O)O)\C(=O)O
2.2 Synonyms
2.2.1 Depositor-Supplied Synonyms

1. 146447-26-9

2. (z)-2-[4-[[4-(1-piperidinylmethyl)-2-pyridinyl]oxy]-2-butenyl]-1h-isoindole-1,3(2h)-dione Maleate

3. (z)-but-2-enedioic Acid;2-[(z)-4-[4-(piperidin-1-ylmethyl)pyridin-2-yl]oxybut-2-enyl]isoindole-1,3-dione

4. (z)-2-(4-((4-(piperidin-1-ylmethyl)pyridin-2-yl)-oxy)but-2-en-1-yl)isoindoline-1,3-dione Maleate

5. N-{4-[4-(piperidinomethyl)pyridyl-2-oxy]-cis-2-butene}phthalimide Maleate

6. (z)-2-(4-(4-(piperidin-1-ylmethyl)pyridin-2-yloxy)but-2-enyl)isoindoline-1,3-dione Maleate

7. Akos015999096

8. As-75097

9. 447p269

10. Q-102787

11. N-{4-[4-(piperidinomethyl)pyridyl-2-oxy]-cis-2-butene} Phthalimide Maleic Acid

12. (2z)-but-2-enedioic Acid; 2-[(2z)-4-({4-[(piperidin-1-yl)methyl]pyridin-2-yl}oxy)but-2-en-1-yl]-2,3-dihydro-1h-isoindole-1,3-dione

13. (z)-2-(4-((4-(piperidin-1-ylmethyl)pyridin-2-yl)oxy)but-2-en-1-yl)isoindoline-1,3-dionemaleate

14. 1h-isoindole-1,3(2h)-dione, 2-[(2z)-4-[[4-(1-piperidinylmethyl)-2-pyridinyl]oxy]-2-buten-1-yl]-, (2z)-2-butenedioate (1:1)

2.3 Create Date
2011-05-03
3 Chemical and Physical Properties
Molecular Weight 507.5 g/mol
Molecular Formula C27H29N3O7
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count9
Rotatable Bond Count9
Exact Mass507.20055027 g/mol
Monoisotopic Mass507.20055027 g/mol
Topological Polar Surface Area137 Ų
Heavy Atom Count37
Formal Charge0
Complexity697
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count2
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count2

BUILDING BLOCK

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