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Nothramicin

CAT: 0013-GTR19254560-01Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19254560-01Size:50 mg
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Description
Nothramicin is an anthracycline antibiotic that exhibits antimycobacterial activity.
CAS Number
205752-47-2
Field of Research
Infectious Disease & Virology
Smiles
O (C1C2=C (C=C3C (=C2O) C (=O) C=4C (C3=O) =C (OC) C=CC4O) C (O) C (C) (O) C1OC) C5CC (N (C) C) (C) C (O) C (C) O5
Molecular Formula
C30H37NO11
Molecular Weight
587.615
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

5,12-Naphthacenedione, 7,8,9,10-tetrahydro-4,6,9,10-tetrahydroxy-1,8-dimethoxy-9-methyl-7-((2,3,6-trideoxy-3-(dimethylamino)-3-C-methylhexopyranosyl)oxy)-

Nothramicin is an anthracycline antibiotic isolated from the culture broth of Nocardia sp. MJ896-43F17. It exhibits significant antimycobacterial activity against several drug-resistant Mycobacterium smegmatis strains. It has a role as an antimycobacterial drug. It is a deoxy hexoside, an aromatic ether, an aminoglycoside, an anthracycline antibiotic and a tertiary amino compound.

CAS Number205752-47-2
PubChem CID122846
IUPAC Name7-[4-(dimethylamino)-5-hydroxy-4,6-dimethyloxan-2-yl]oxy-4,6,9,10-tetrahydroxy-1,8-dimethoxy-9-methyl-8,10-dihydro-7H-tetracene-5,12-dione
Molecular FormulaC30H37NO11
Molecular Weight587.6
XLogP1
Topological Polar Surface Area175
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count12
Rotatable Bond Count5
Heavy Atom Count42
Formal Charge0
Complexity1040
SMILES
CC1C(C(CC(O1)OC2C(C(C(C3=CC4=C(C(=C23)O)C(=O)C5=C(C=CC(=C5C4=O)OC)O)O)(C)O)OC)(C)N(C)C)O
InChI
InChI=1S/C30H37NO11/c1-12-26(36)29(2,31(4)5)11-17(41-12)42-25-19-14(27(37)30(3,38)28(25)40-7)10-13-18(23(19)34)24(35)20-15(32)8-9-16(39-6)21(20)22(13)33/h8-10,12,17,25-28,32,34,36-38H,11H2,1-7H3
InChIKey
XXHMZNPASHQZPM-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 5,12-Naphthacenedione, 7,8,9,10-tetrahydro-4,6,9,10-tetrahydroxy-1,8-dimethoxy-9-methyl-7-((2,3,6-trideoxy-3-(dimethylamino)-3-C-methylhexopyranosyl)oxy)-
CAS: 205752-47-2
CID: 122846
Formula: C30H37NO11
MW: 587.6
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight587.6
XLogP31
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count12
Rotatable Bond Count5
Exact Mass587.23666100
Monoisotopic Mass587.23666100
Topological Polar Surface Area175 Ų
Heavy Atom Count42
Formal Charge0
Complexity1040
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count8
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
HY-165483Nothramicin

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