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Daunorubicin HCl

CAT: 0957-S3035-1gSize: 1 gDry Ice: YesHazardous: No
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CAT#:0957-S3035-1gSize:1 g
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
23541-50-6
Synonyms
Rubidomycin HCl, RP 13057 HCl
Target
Topoisomerase
Applications
DNA Damage/DNA Repair
Smiles
CC1C (C (CC (O1) OC2CC (CC3=C2C (=C4C (=C3O) C (=O) C5=C (C4=O) C (=CC=C5) OC) O) (C (=O) C) O) N) O.Cl
Molecular Formula
C27H29NO10 . HCl
Additionnal Information
Daunorubicin HCl inhibits both DNA and RNA synthesis and inhibits DNA synthesis with Ki of 0.02 μM in a cell-free assay. Daunorubicin is a topoisomerase II inhibitor that induces apoptosis.Daunorubicin (RP 13057) HCl can be used to induce animal models of Kidney Disease.
Storage Conditions
2 years -80 in solvent

Chemical Information

Daunorubicin Hydrochloride

Daunorubicin Hydrochloride can cause developmental toxicity according to state or federal government labeling requirements.

CAS Number23541-50-6
PubChem CID62770
IUPAC Name(7S,9S)-9-acetyl-7-[(2R,4S,5S,6S)-4-amino-5-hydroxy-6-methyloxan-2-yl]oxy-6,9,11-trihydroxy-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione;hydrochloride
Molecular FormulaC27H30ClNO10
Molecular Weight564.0
Topological Polar Surface Area186
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count11
Rotatable Bond Count4
Heavy Atom Count39
Formal Charge0
Complexity960
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)C)O)N)O.Cl
InChI
InChI=1S/C27H29NO10.ClH/c1-10-22(30)14(28)7-17(37-10)38-16-9-27(35,11(2)29)8-13-19(16)26(34)21-20(24(13)32)23(31)12-5-4-6-15(36-3)18(12)25(21)33;/h4-6,10,14,16-17,22,30,32,34-35H,7-9,28H2,1-3H3;1H/t10-,14-,16-,17-,22+,27-;/m0./s1
InChIKey
GUGHGUXZJWAIAS-QQYBVWGSSA-N
Chemical Structure
2D Structure
2D structure of Daunorubicin Hydrochloride
CAS: 23541-50-6
CID: 62770
Formula: C27H30ClNO10
MW: 564.0
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight564.0
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count11
Rotatable Bond Count4
Exact Mass563.1558238
Monoisotopic Mass563.1558238
Topological Polar Surface Area186 Ų
Heavy Atom Count39
Formal Charge0
Complexity960
Isotope Atom Count0
Defined Atom Stereocenter Count6
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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