Products for Research Use Only
RegisterLogin

Doxorubamine

CAT: 0013-GTR19274679-02Size: 10 mgDry Ice: NoHazardous: No
Product image 1
1 / 1
CAT#:0013-GTR19274679-02Size:10 mg
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
Quick Request Actions
Description
Doxorubamine, a derivative of Doxorubicin, serves as a weak substrate for P-glycoprotein and is effective in killing reagent-sensitive ovarian cancer.
CAS Number
760899-08-9
Smiles
OC=1C2=C ([C@@H] (O[C@H]3C[C@H] (N) [C@@H] (N) [C@H] (C) O3) C[C@@] (C (CO) =O) (O) C2) C (O) =C4C1C (=O) C=5C (C4=O) =C (OC) C=CC5
Molecular Formula
C27H30N2O10
Molecular Weight
542.54
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Doxorubamine
CAS Number760899-08-9
PubChem CID155219710
IUPAC Name(7S,9S)-7-[(2R,4S,5R,6S)-4,5-diamino-6-methyloxan-2-yl]oxy-6,9,11-trihydroxy-9-(2-hydroxyacetyl)-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione
Molecular FormulaC27H30N2O10
Molecular Weight542.5
XLogP1
Topological Polar Surface Area212
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count12
Rotatable Bond Count5
Heavy Atom Count39
Formal Charge0
Complexity980
SMILES
C[C@H]1[C@@H]([C@H](C[C@@H](O1)O[C@H]2C[C@@](CC3=C2C(=C4C(=C3O)C(=O)C5=C(C4=O)C(=CC=C5)OC)O)(C(=O)CO)O)N)N
InChI
InChI=1S/C27H30N2O10/c1-10-22(29)13(28)6-17(38-10)39-15-8-27(36,16(31)9-30)7-12-19(15)26(35)21-20(24(12)33)23(32)11-4-3-5-14(37-2)18(11)25(21)34/h3-5,10,13,15,17,22,30,33,35-36H,6-9,28-29H2,1-2H3/t10-,13-,15-,17-,22-,27-/m0/s1
InChIKey
KRIOLASNMPRRES-VTZDEGQISA-N
Chemical Structure
2D Structure
2D structure of Doxorubamine
CAS: 760899-08-9
CID: 155219710
Formula: C27H30N2O10
MW: 542.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight542.5
XLogP31
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count12
Rotatable Bond Count5
Exact Mass542.19004516
Monoisotopic Mass542.19004516
Topological Polar Surface Area212 Ų
Heavy Atom Count39
Formal Charge0
Complexity980
Isotope Atom Count0
Defined Atom Stereocenter Count6
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Popular Products