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RA 642

CAT: 0931-T26027-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0931-T26027-01Size:25 mg
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
54093-30-0
Target
Others, PDE
Related Pathways
Others, Metabolism
Bioactivity
RA 642 is used as a PDE-inhibitor.
Smiles
N(CC)(CC)C=1C2=C(C(N(CC)CC)=NC(N(CCOC)CCO)=N2)N=C(N(CCOC)CCO)N1
Molecular Formula
C24H44N8O4
Molecular Weight
508.66
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Pyrimido(5,4-d)pyrimidine, ethanol deriv.

has central hypertensive properties; structure

CAS Number54093-30-0
PubChem CID124165
IUPAC Name2-[[4,8-bis(diethylamino)-2-[2-hydroxyethyl(2-methoxyethyl)amino]pyrimido[5,4-d]pyrimidin-6-yl]-(2-methoxyethyl)amino]ethanol
Molecular FormulaC24H44N8O4
Molecular Weight508.7
XLogP1.5
Topological Polar Surface Area123
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count12
Rotatable Bond Count18
Heavy Atom Count36
Formal Charge0
Complexity524
SMILES
CCN(CC)C1=NC(=NC2=C1N=C(N=C2N(CC)CC)N(CCO)CCOC)N(CCO)CCOC
InChI
InChI=1S/C24H44N8O4/c1-7-29(8-2)21-19-20(26-23(27-21)31(11-15-33)13-17-35-5)22(30(9-3)10-4)28-24(25-19)32(12-16-34)14-18-36-6/h33-34H,7-18H2,1-6H3
InChIKey
ROFXYKJBKWRUBS-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Pyrimido(5,4-d)pyrimidine, ethanol deriv.
CAS: 54093-30-0
CID: 124165
Formula: C24H44N8O4
MW: 508.7
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight508.7
XLogP31.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count12
Rotatable Bond Count18
Exact Mass508.34855191
Monoisotopic Mass508.34855191
Topological Polar Surface Area123 Ų
Heavy Atom Count36
Formal Charge0
Complexity524
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes