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Rolipram

CAT: 0926-FR01270-01Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0926-FR01270-01Size:100 mg
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CAS Number
61413-54-5
MDL Number
MFCD00270906
Smiles
COC1=C (C=C (C=C1) C2CC (=O) NC2) OC3CCCC3
Molecular Formula
C16H21NO3
Molecular Weight
275.34 g/mol
Controlled
No

Chemical Information

Rolipram

Rolipram is a member of the lclass of pyrrolidin-2-ones that is pyrrolidin-2-one bearing a 3-(cyclopentyloxy)-4-methoxyphenyl substituent at the 4-position. It is a type IV-specific phosphodiesterase (PDE4) inhibitor. It has a role as an antidepressant and an EC 3.1.4.* (phosphoric diester hydrolase) inhibitor.

CAS Number61413-54-5
PubChem CID5092
IUPAC Name4-(3-cyclopentyloxy-4-methoxyphenyl)pyrrolidin-2-one
Molecular FormulaC16H21NO3
Molecular Weight275.34
XLogP2.2
Topological Polar Surface Area47.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count4
Heavy Atom Count20
Formal Charge0
Complexity341
SMILES
COC1=C(C=C(C=C1)C2CC(=O)NC2)OC3CCCC3
InChI
InChI=1S/C16H21NO3/c1-19-14-7-6-11(12-9-16(18)17-10-12)8-15(14)20-13-4-2-3-5-13/h6-8,12-13H,2-5,9-10H2,1H3,(H,17,18)
InChIKey
HJORMJIFDVBMOB-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Rolipram
CAS: 61413-54-5
CID: 5092
Formula: C16H21NO3
MW: 275.34
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight275.34
XLogP32.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count4
Exact Mass275.15214353
Monoisotopic Mass275.15214353
Topological Polar Surface Area47.6 Ų
Heavy Atom Count20
Formal Charge0
Complexity341
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
528828Rolipram
TRC-R640040-10MG(±)-Rolipram

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