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Menogaril

CAT: 0013-GTR19273976-02Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19273976-02Size:10 mg
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Description
Menogaril is a potent orally active anthracycline antitumor agent. It can easily penetrate cancer cells and cleave double-stranded DNA. Menogaril is applicable to cancer research, such as for malignant lymphoma.
CAS Number
71628-96-1
Smiles
O=C1C=2C3=C ([C@@]4 (C) O[C@@] (O3) ([C@@H] (O) [C@H] (N (C) C) [C@H]4O) [H]) C=C (O) C2C (=O) C=5C1=CC6=C (C5O) [C@H] (OC) C[C@] (C) (O) C6
Molecular Formula
C28H31NO10
Molecular Weight
541.55
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Menogaril

Menogaril is a semisynthetic derivative of the anthracycline antineoplastic antibiotic nogalamycin. Menogaril intercalates into DNA and interacts with topoisomerase II, thereby inhibiting DNA replication and repair and RNA and protein synthesis. This agent is less cardiotoxic than doxorubicin. (NCI04)

CAS Number71628-96-1
PubChem CID5288818
IUPAC Name(1R,10R,12R,21R,22S,23R,24R)-23-(dimethylamino)-4,8,12,22,24-pentahydroxy-10-methoxy-1,12-dimethyl-20,25-dioxahexacyclo[19.3.1.02,19.05,18.07,16.09,14]pentacosa-2,4,7(16),8,14,18-hexaene-6,17-dione
Molecular FormulaC28H31NO10
Molecular Weight541.5
XLogP0.8
Topological Polar Surface Area166
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count11
Rotatable Bond Count2
Heavy Atom Count39
Formal Charge0
Complexity1020
SMILES
C[C@@]1(C[C@H](C2=C(C3=C(C=C2C1)C(=O)C4=C5C(=CC(=C4C3=O)O)[C@@]6([C@@H]([C@H]([C@@H]([C@H](O5)O6)O)N(C)C)O)C)O)OC)O
InChI
InChI=1S/C28H31NO10/c1-27(36)8-10-6-11-16(21(32)15(10)14(9-27)37-5)22(33)17-13(30)7-12-24(18(17)20(11)31)38-26-23(34)19(29(3)4)25(35)28(12,2)39-26/h6-7,14,19,23,25-26,30,32,34-36H,8-9H2,1-5H3/t14-,19+,23+,25-,26-,27-,28-/m1/s1
InChIKey
LWYJUZBXGAFFLP-OCNCTQISSA-N
Chemical Structure
2D Structure
2D structure of Menogaril
CAS: 71628-96-1
CID: 5288818
Formula: C28H31NO10
MW: 541.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight541.5
XLogP30.8
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count11
Rotatable Bond Count2
Exact Mass541.19479619
Monoisotopic Mass541.19479619
Topological Polar Surface Area166 Ų
Heavy Atom Count39
Formal Charge0
Complexity1020
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

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CatalogName
HY-105130Menogaril

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