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Eptaplatin

CAT: 0926-FE22772-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0926-FE22772-01Size:25 mg
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CAS Number
146665-77-2
Synonyms
(SP-4-2) -[ (4R,5R) -2- (1-Methylethyl-1,3-dioxolane4,5-dimethanamine-kN4, kN5][propanedioato (2-) -kO1, kO3]platinum; Heptaplatin
MDL Number
MFCD00931412
Smiles
CC (C) C1O[C@H] (CN) [C@@H] (CN) O1.O=C2CC (=O) O[Pt]O2
Molecular Formula
C11H20N2O6Pt
Molecular Weight
471.37 g/mol
Controlled
No

Chemical Information

Eptaplatin

Eptaplatin is a platinum-based compound with alkylating activity. Eptaplatin induces pt-DNA adducts and DNA crosslinks, thereby resulting in an inhibition of cellular proliferation.

CAS Number146665-77-2
PubChem CID119378
IUPAC Name[(4R,5R)-5-(aminomethyl)-2-propan-2-yl-1,3-dioxolan-4-yl]methanamine;platinum(2+);propanedioate
Molecular FormulaC11H20N2O6Pt
Molecular Weight471.37
Topological Polar Surface Area151
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count8
Rotatable Bond Count3
Heavy Atom Count20
Formal Charge0
Complexity201
SMILES
CC(C)C1O[C@@H]([C@H](O1)CN)CN.C(C(=O)[O-])C(=O)[O-].[Pt+2]
InChI
InChI=1S/C8H18N2O2.C3H4O4.Pt/c1-5(2)8-11-6(3-9)7(4-10)12-8;4-2(5)1-3(6)7;/h5-8H,3-4,9-10H2,1-2H3;1H2,(H,4,5)(H,6,7);/q;;+2/p-2/t6-,7-;;/m1../s1
InChIKey
XJXKGUZINMNEDK-GPJOBVNKSA-L
Chemical Structure
2D Structure
2D structure of Eptaplatin
CAS: 146665-77-2
CID: 119378
Formula: C11H20N2O6Pt
MW: 471.37
Interactive 3D Structure
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Computed Properties
PropertyValue
Molecular Weight471.37
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count8
Rotatable Bond Count3
Exact Mass471.096931
Monoisotopic Mass471.096931
Topological Polar Surface Area151 Ų
Heavy Atom Count20
Formal Charge0
Complexity201
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count3
Compound Is CanonicalizedYes

Alternative Products

CatalogName
TRC-E591500-5MGEptaplatin

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