Nogamycin

HCID 319846

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Basic information

CAS: 64267-46-5
Standard SMILES: COC1C(C)OC(OC2CC(C)(O)Cc3cc4c(c(O)c32)C(=O)c2c(O)cc3c(c2C4=O)OC2OC3(C)C(O)C(N(C)C)C2O)C(OC)C1(C)OC
InChIKey: NNEGMXMRXKXKMQ-UHFFFAOYSA-N
Molecular formula: C37H47NO14
Average molar mass: 729.8 g/mol
Monoisotopic mass: 729.29965517

Names & identifiers

Preferred name: Nogamycin
IUPAC: 23-(dimethylamino)-4,8,12,22,24-pentahydroxy-1,12-dimethyl-10-(3,4,5-trimethoxy-4,6-dimethyloxan-2-yl)oxy-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

Names & synonyms

NOGALOMYCIN CNSC265450NogamycinMLS002702111Neuro_000126CHEMBL153078SCHEMBL26459009BDBM635609NSC-265450NCI60_002130PD011249SMR001565679

Show more names

US20230364057, Compound 224U 512042,2-b]oxocin-9,16-dione, 11-[(6- deoxy 3-C-methyl-2,3,4-tri-O-methyl-.alpha.-L-manno pyranosyl)oxy]-4-(dimethylamino)- 3,4,5,6,11,12,13,14-octahydro-3,5,8,10,13-pentahydroxy- 6,13-dimethyl-2,6-Epoxy-2H-naphthaceno[1,2-b]oxocin-9,16-dione, 11-[(6-deoxy-3-C-methyl-2,3,4-tri-O-methyl-.alpha.-L-mannopyranosyl)oxy]-4-(dimethylamino)-3,4,5,6,11,12,13,14-octahydro-3,5,8,10,13-pentahydroxy-6,13-dimethyl-dimethylamino-pentahydroxy-dimethyl-(3,4,5-trimethoxy-4,6-dimethyl-tetrahydropyran-2-yl)oxy-[?]dione

Database identifiers

CAS: 64267-46-5
PubChem CID: 319846
ChEMBL: CHEMBL153078

Properties

Computed structural properties

XLogP: 0.9
Topological polar surface area: 203 Å²
Hydrogen bond donors: 5
Hydrogen bond acceptors: 15
Rotatable bonds: 6
Heavy atoms: 52
Formal charge: 0
Complexity: 1,390

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