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Ametantrone Diacetate

CAT: 0572-TRC-A408440-250MGSize: 250 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-A408440-250MGSize:250 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
70711-40-9
Hazard Statement
No Data Available
Smiles
O=C(C)O.O=C1C2=C(C(C3=C1C(NCCNCCO)=CC=C3NCCNCCO)=O)C=CC=C2.O=C(C)O
Molecular Formula
C22H28N4O4 . 2(C2H4O2)

Chemical Information

Ametantrone Acetate

Ametantrone Acetate is acetate salt of Ametantrone, a topoisomerase II inhibitor of the anthrapyrazole family that causes covalent cross-links in DNA.

CAS Number70711-40-9
PubChem CID11541062
IUPAC Nameacetic acid;1,4-bis[2-(2-hydroxyethylamino)ethylamino]anthracene-9,10-dione
Molecular FormulaC26H36N4O8
Molecular Weight532.6
Topological Polar Surface Area197
Hydrogen Bond Donor Count8
Hydrogen Bond Acceptor Count12
Rotatable Bond Count12
Heavy Atom Count38
Formal Charge0
Complexity544
SMILES
CC(=O)O.CC(=O)O.C1=CC=C2C(=C1)C(=O)C3=C(C=CC(=C3C2=O)NCCNCCO)NCCNCCO
InChI
InChI=1S/C22H28N4O4.2C2H4O2/c27-13-11-23-7-9-25-17-5-6-18(26-10-8-24-12-14-28)20-19(17)21(29)15-3-1-2-4-16(15)22(20)30;2*1-2(3)4/h1-6,23-28H,7-14H2;2*1H3,(H,3,4)
InChIKey
IGCAUIJHGNYDKE-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Ametantrone Acetate
CAS: 70711-40-9
CID: 11541062
Formula: C26H36N4O8
MW: 532.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight532.6
Hydrogen Bond Donor Count8
Hydrogen Bond Acceptor Count12
Rotatable Bond Count12
Exact Mass532.25331412
Monoisotopic Mass532.25331412
Topological Polar Surface Area197 Ų
Heavy Atom Count38
Formal Charge0
Complexity544
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count3
Compound Is CanonicalizedYes

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