Epirubicin HCl

CAT: 0607-A2451-5Size: 5 mgDry Ice: NoHazardous: No

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CAT#:0607-A2451-5Size:5 mg

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Description

Antibiotic antitumor agent

CAS Number

56390-09-1

Product Name Alternative

(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

Field of Research

DNA Damage DNA Repair DNA Synthesis DNA Damage DNA Repair Topoisomerase

Purity

0.9862

Form

A solid

Solubility

≥29.00 mg/mL in DMSO; ≥10.12 mg/mL in EtOH with gentle warming and ultrasonic; ≥40.33 mg/mL in H2O with gentle warming

Smiles

CC1C(C(CC(O1)OC2CC(CC3=C(C4=C(C(=C23)O)C(=O)C5=C(C4=O)C=CC=C5OC)O)(C(=O)CO)O)N)O.Cl

Molecular Formula

C27H29NO11·HCl

Molecular Weight

579.98

Shipping Conditions

Blue ice

Storage Conditions

Store at -20°C.

Chemical Information

Epirubicin Hydrochloride

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

CAS Number	56390-09-1
PubChem CID	65348
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 Formula	C27H30ClNO11
Molecular Weight	580.0
Topological Polar Surface Area	206
Hydrogen Bond Donor Count	7
Hydrogen Bond Acceptor Count	12
Rotatable Bond Count	5
Heavy Atom Count	40
Formal Charge	0
Complexity	977

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

CAS: 56390-09-1

CID: 65348

Formula: C27H30ClNO11

MW: 580.0

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	580.0
Hydrogen Bond Donor Count	7
Hydrogen Bond Acceptor Count	12
Rotatable Bond Count	5
Exact Mass	579.1507385
Monoisotopic Mass	579.1507385
Topological Polar Surface Area	206 Å²
Heavy Atom Count	40
Formal Charge	0
Complexity	977
Isotope Atom Count	0
Defined Atom Stereocenter Count	6
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	2
Compound Is Canonicalized	Yes

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Alternative Products

Catalog	Name
293398-01	Epirubicin
RM-E091800-01	Epirubicin Hydrochloride
MBS575942	Epirubicin HCl
A12409-100	Epirubicin 100mg
HY-13624A-01	Epirubicin (hydrochloride)
A12409-25	Epirubicin 25mg
A12409-5	Epirubicin 5mg

Epirubicin HCl

Chemical Information

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