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RHPS4

CAT: 0127-BUP06367-05Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0127-BUP06367-05Size:100 mg
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CAS Number
390362-78-4
Synonyms
RHPS 4 methosulfate, NSC714187
Purity
=98%
Smiles
COS([O-])(=O)=O.Cc1cc2n(C)c3ccc(F)cc3c3[n+](C)c4ccc(F)cc4c(c1)c23

Chemical Information

RHPS 4 methosulfate
CAS Number390362-78-4
PubChem CID9804187
IUPAC Name4,16-difluoro-8,11,20-trimethyl-8-aza-20-azoniapentacyclo[11.7.1.02,7.09,21.014,19]henicosa-1(20),2(7),3,5,9,11,13(21),14(19),15,17-decaene;methyl sulfate
Molecular FormulaC23H20F2N2O4S
Molecular Weight458.5
Topological Polar Surface Area81.9
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count7
Rotatable Bond Count0
Heavy Atom Count32
Formal Charge0
Complexity633
SMILES
CC1=CC2=C3C(=C1)N(C4=C(C3=[N+](C5=C2C=C(C=C5)F)C)C=C(C=C4)F)C.COS(=O)(=O)[O-]
InChI
InChI=1S/C22H17F2N2.CH4O4S/c1-12-8-16-15-10-13(23)4-6-18(15)26(3)22-17-11-14(24)5-7-19(17)25(2)20(9-12)21(16)22;1-5-6(2,3)4/h4-11H,1-3H3;1H3,(H,2,3,4)/q+1;/p-1
InChIKey
VRWGYMXWYZBBGF-UHFFFAOYSA-M
Chemical Structure
2D Structure
2D structure of RHPS 4 methosulfate
CAS: 390362-78-4
CID: 9804187
Formula: C23H20F2N2O4S
MW: 458.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight458.5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count7
Rotatable Bond Count0
Exact Mass458.11118462
Monoisotopic Mass458.11118462
Topological Polar Surface Area81.9 Ų
Heavy Atom Count32
Formal Charge0
Complexity633
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

Alternative Products

CatalogName
B6186-10RHPS4
A16354-25RHPS4 25mg
A16354-100RHPS4 100mg
A16354-50RHPS4 50mg
A16354-5RHPS4 5mg
407840RHPS4 methosulfate
HY-101089RRHPS4 (Standard)
A16354-10RHPS4 10mg
A16354-10mM-DRHPS4 10mM * 1mL in DMSO

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