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Ro-24-4736 50mg

CAT: 0628-A20717-50Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0628-A20717-50Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
125030-71-9

Chemical Information

Ro 24-4736

structure given in first source; platelet activating factor antagonist

CAS Number125030-71-9
PubChem CID60775
IUPAC Name5-[3-[7-(2-chlorophenyl)-13-methyl-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.02,6]trideca-2(6),4,7,10,12-pentaen-4-yl]prop-2-ynyl]phenanthridin-6-one
Molecular FormulaC31H20ClN5OS
Molecular Weight546.0
XLogP5.9
Topological Polar Surface Area91.6
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count5
Rotatable Bond Count3
Heavy Atom Count39
Formal Charge0
Complexity1040
SMILES
CC1=NN=C2N1C3=C(C=C(S3)C#CCN4C5=CC=CC=C5C6=CC=CC=C6C4=O)C(=NC2)C7=CC=CC=C7Cl
InChI
InChI=1S/C31H20ClN5OS/c1-19-34-35-28-18-33-29(24-13-4-6-14-26(24)32)25-17-20(39-31(25)37(19)28)9-8-16-36-27-15-7-5-11-22(27)21-10-2-3-12-23(21)30(36)38/h2-7,10-15,17H,16,18H2,1H3
InChIKey
MPMZSZMDCRPSRF-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Ro 24-4736
CAS: 125030-71-9
CID: 60775
Formula: C31H20ClN5OS
MW: 546.0
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight546.0
XLogP35.9
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count5
Rotatable Bond Count3
Exact Mass545.1077091
Monoisotopic Mass545.1077091
Topological Polar Surface Area91.6 Ų
Heavy Atom Count39
Formal Charge0
Complexity1040
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

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