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Nemorubicin

CAT: 0607-BA4109-25Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0607-BA4109-25Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
108852-90-0
Form
A solid
Molecular Formula
C32H37NO13
Molecular Weight
643.64
Shipping Conditions
Blue ice
Storage Conditions
4°C, protect from light.

Chemical Information

Nemorubicin

Nemorubicin is a primary alpha-hydroxy ketone, a tertiary alpha-hydroxy ketone, a member of morpholines and an anthracycline antibiotic. It is functionally related to a doxorubicin.

CAS Number108852-90-0
PubChem CID65907
IUPAC Name(7S,9S)-6,9,11-trihydroxy-9-(2-hydroxyacetyl)-7-[(2R,4S,5S,6S)-5-hydroxy-4-[(2S)-2-methoxymorpholin-4-yl]-6-methyloxan-2-yl]oxy-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione
Molecular FormulaC32H37NO13
Molecular Weight643.6
XLogP1.7
Topological Polar Surface Area202
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count14
Rotatable Bond Count7
Heavy Atom Count46
Formal Charge0
Complexity1160
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)N6CCO[C@@H](C6)OC)O
InChI
InChI=1S/C32H37NO13/c1-14-27(36)17(33-7-8-44-22(12-33)43-3)9-21(45-14)46-19-11-32(41,20(35)13-34)10-16-24(19)31(40)26-25(29(16)38)28(37)15-5-4-6-18(42-2)23(15)30(26)39/h4-6,14,17,19,21-22,27,34,36,38,40-41H,7-13H2,1-3H3/t14-,17-,19-,21-,22-,27+,32-/m0/s1
InChIKey
CTMCWCONSULRHO-UHQPFXKFSA-N
Chemical Structure
2D Structure
2D structure of Nemorubicin
CAS: 108852-90-0
CID: 65907
Formula: C32H37NO13
MW: 643.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight643.6
XLogP31.7
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count14
Rotatable Bond Count7
Exact Mass643.22649023
Monoisotopic Mass643.22649023
Topological Polar Surface Area202 Ų
Heavy Atom Count46
Formal Charge0
Complexity1160
Isotope Atom Count0
Defined Atom Stereocenter Count7
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
T4469-01Nemorubicin
HY-15794ANemorubicin (hydrochloride)
A14363-100Nemorubicin 100mg
A14363-1Nemorubicin 1mg
HY-15794GNemorubicin (GMP)
T71467-01Nemorubicin HCL
A14363-10Nemorubicin 10mg
A14363-50Nemorubicin 50mg
A14363-25Nemorubicin 25mg
A14363-5Nemorubicin 5mg

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