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Idarubicin Hydrochloride

CAT: 0543-I051-10MGSize: 10 mgDry Ice: NoHazardous: No
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CAT#:0543-I051-10MGSize:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
57852-57-0
Applications
Cancer Research, Microbiology.
Purity
970 - 1030 ug/mg
Molecular Formula
C26H27NO9 · HCl
Molecular Weight
533.95
Shipping Conditions
Ambient
Storage Conditions
-20 °C

Chemical Information

Idarubicin Hydrochloride

Idarubicin Hydrochloride can cause developmental toxicity and male reproductive toxicity according to state or federal government labeling requirements.

CAS Number57852-57-0
PubChem CID636362
IUPAC Name(7S,9S)-9-acetyl-7-[(2R,4S,5S,6S)-4-amino-5-hydroxy-6-methyloxan-2-yl]oxy-6,9,11-trihydroxy-8,10-dihydro-7H-tetracene-5,12-dione;hydrochloride
Molecular FormulaC26H28ClNO9
Molecular Weight534.0
Topological Polar Surface Area177
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count10
Rotatable Bond Count3
Heavy Atom Count37
Formal Charge0
Complexity912
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=CC=CC=C5C4=O)O)(C(=O)C)O)N)O.Cl
InChI
InChI=1S/C26H27NO9.ClH/c1-10-21(29)15(27)7-17(35-10)36-16-9-26(34,11(2)28)8-14-18(16)25(33)20-19(24(14)32)22(30)12-5-3-4-6-13(12)23(20)31;/h3-6,10,15-17,21,29,32-34H,7-9,27H2,1-2H3;1H/t10-,15-,16-,17-,21+,26-;/m0./s1
InChIKey
JVHPTYWUBOQMBP-RVFAQHLVSA-N
Chemical Structure
2D Structure
2D structure of Idarubicin Hydrochloride
CAS: 57852-57-0
CID: 636362
Formula: C26H28ClNO9
MW: 534.0
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight534.0
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count10
Rotatable Bond Count3
Exact Mass533.1452592
Monoisotopic Mass533.1452592
Topological Polar Surface Area177 Ų
Heavy Atom Count37
Formal Charge0
Complexity912
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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