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Moflomycin

CAT: 0013-GTR19199922-02Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19199922-02Size:100 mg
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Description
Moflomycin is an anthracycline derivative with enhanced antileukemic potency. It is a research tool for studying oncology and pharmacology in both in vitro cell assays and in vivo animal models of leukemia.
CAS Number
107430-03-5
Field of Research
Molecular Biology
Smiles
O (C1C2=C (C (O) =C3C (=C2O) C (=O) C=4C (C3=O) =CC=CC4) CC (CO) (O) C1) C5C (I) C (O) C (O) C (C) O5
Molecular Formula
C25H25IO10
Molecular Weight
612.36
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Moflomycin

structure given in first source; DNA topoisomerase II antagonists

CAS Number107430-03-5
PubChem CID21124251
IUPAC Name(7S,9S)-7-[(2R,3R,4R,5R,6S)-4,5-dihydroxy-3-iodo-6-methyloxan-2-yl]oxy-6,9,11-trihydroxy-9-(hydroxymethyl)-8,10-dihydro-7H-tetracene-5,12-dione
Molecular FormulaC25H25IO10
Molecular Weight612.4
XLogP1.8
Topological Polar Surface Area174
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count10
Rotatable Bond Count3
Heavy Atom Count36
Formal Charge0
Complexity872
SMILES
C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)O[C@H]2C[C@@](CC3=C2C(=C4C(=C3O)C(=O)C5=CC=CC=C5C4=O)O)(CO)O)I)O)O
InChI
InChI=1S/C25H25IO10/c1-9-18(28)23(33)17(26)24(35-9)36-13-7-25(34,8-27)6-12-14(13)22(32)16-15(21(12)31)19(29)10-4-2-3-5-11(10)20(16)30/h2-5,9,13,17-18,23-24,27-28,31-34H,6-8H2,1H3/t9-,13-,17+,18-,23-,24-,25-/m0/s1
InChIKey
IJWZCUDUUDYUBR-IWGZIANCSA-N
Chemical Structure
2D Structure
2D structure of Moflomycin
CAS: 107430-03-5
CID: 21124251
Formula: C25H25IO10
MW: 612.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight612.4
XLogP31.8
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count10
Rotatable Bond Count3
Exact Mass612.04924
Monoisotopic Mass612.04924
Topological Polar Surface Area174 Ų
Heavy Atom Count36
Formal Charge0
Complexity872
Isotope Atom Count0
Defined Atom Stereocenter Count7
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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CatalogName
MBS5774244Moflomycin

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