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Epirubicin HCl

CAT: 1568-C07631-01Size: 5 mgDry Ice: YesHazardous: No
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CAT#:1568-C07631-01Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
56390-09-1
Synonyms
IMI 28 HCl, NSC 256942 HCl, 4'-epidoxorubicin HCl
SKU
C07631-5mg
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) CO) O) N) O.Cl
Molecular Formula
C27H29NO11.HCl
Additionnal Information
Epirubicin HCl, a semisynthetic L-arabino derivative of doxorubicin, is an antineoplastic agent by inhibiting Topoisomerase. Epirubicin induces apoptosis.
Storage Conditions
2 years -80 in solvent

Chemical Information

Epirubicin Hydrochloride

Epirubicin hydrochloride is an anthracycline. It has a role as an antineoplastic agent.

CAS Number56390-09-1
PubChem CID65348
IUPAC Name(7S,9S)-7-[(2R,4S,5R,6S)-4-amino-5-hydroxy-6-methyloxan-2-yl]oxy-6,9,11-trihydroxy-9-(2-hydroxyacetyl)-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione;hydrochloride
Molecular FormulaC27H30ClNO11
Molecular Weight580.0
Topological Polar Surface Area206
Hydrogen Bond Donor Count7
Hydrogen Bond Acceptor Count12
Rotatable Bond Count5
Heavy Atom Count40
Formal Charge0
Complexity977
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)O.Cl
InChI
InChI=1S/C27H29NO11.ClH/c1-10-22(31)13(28)6-17(38-10)39-15-8-27(36,16(30)9-29)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;/h3-5,10,13,15,17,22,29,31,33,35-36H,6-9,28H2,1-2H3;1H/t10-,13-,15-,17-,22-,27-;/m0./s1
InChIKey
MWWSFMDVAYGXBV-FGBSZODSSA-N
Chemical Structure
2D Structure
2D structure of Epirubicin Hydrochloride
CAS: 56390-09-1
CID: 65348
Formula: C27H30ClNO11
MW: 580.0
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight580.0
Hydrogen Bond Donor Count7
Hydrogen Bond Acceptor Count12
Rotatable Bond Count5
Exact Mass579.1507385
Monoisotopic Mass579.1507385
Topological Polar Surface Area206 Ų
Heavy Atom Count40
Formal Charge0
Complexity977
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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