Antibiotic Sch 23831

AlkaPlorer ID: AK288648

Synonym: Sch 23831

IUPAC Name: 12-[4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-6-ethyl-10-hydroxy-2,5,11,15-tetramethyl-3,7-dioxa-19-azatetracyclo[14.3.1.02,4.013,17]icosa-1(19),16(20),17-trien-8-one

Structure

SMILES: CCC1OC(=O)CC(O)C(C)C(OC2OC(C)CC(N(C)C)C2O)C2CC(C)C3=CC(=NC=C32)C2(C)OC2C1C

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InChI: InChI=1S/C31H48N2O7/c1-9-24-18(5)29-31(6,40-29)25-12-19-15(2)10-20(21(19)14-32-25)28(17(4)23(34)13-26(35)38-24)39-30-27(36)22(33(7)8)11-16(3)37-30/h12,14-18,20,22-24,27-30,34,36H,9-11,13H2,1-8H3

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InChIKey: CJZRPZBSBXIIFK-UHFFFAOYSA-N

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Reference

PubChem CID: 152772031

COCONUT: CNP0276995.2

Properties Information

Molecule Weight: 560.7320000000003

TPSA: 113.88

MolLogP: 3.4562000000000017

Number of H-Donors: 2

Number of H-Acceptors: 9

RingCount: 6

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information