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Miriplatin hydrate 2mg

CAT: 0628-A15162-2Size: 2 mgDry Ice: NoHazardous: No
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CAT#:0628-A15162-2Size:2 mg
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CAS Number
250159-48-9

Chemical Information

Miriplatin monohydrate
CAS Number250159-48-9
PubChem CID23725065
IUPAC Nameplatinum(2+);bis(tetradecanoate);trans-(1R,2R)-cyclohexane-1,2-diamine;hydrate
Molecular FormulaC34H70N2O5Pt
Molecular Weight782.0
Topological Polar Surface Area133
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count7
Rotatable Bond Count22
Heavy Atom Count42
Formal Charge0
Complexity212
SMILES
CCCCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCCCC(=O)[O-].C1CC[C@H]([C@@H](C1)N)N.O.[Pt+2]
InChI
InChI=1S/2C14H28O2.C6H14N2.H2O.Pt/c2*1-2-3-4-5-6-7-8-9-10-11-12-13-14(15)16;7-5-3-1-2-4-6(5)8;;/h2*2-13H2,1H3,(H,15,16);5-6H,1-4,7-8H2;1H2;/q;;;;+2/p-2/t;;5-,6-;;/m..1../s1
InChIKey
LWDBMUAJGMXQAY-GSEQGPDBSA-L
Chemical Structure
2D Structure
2D structure of Miriplatin monohydrate
CAS: 250159-48-9
CID: 23725065
Formula: C34H70N2O5Pt
MW: 782.0
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight782.0
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count7
Rotatable Bond Count22
Exact Mass781.493268
Monoisotopic Mass781.493268
Topological Polar Surface Area133 Ų
Heavy Atom Count42
Formal Charge0
Complexity212
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count5
Compound Is CanonicalizedYes

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