Molecule

7,9-dibromo-N-[3-[2,6-dibromo-4-[4-(7,9-dibromo-6-hydroxy-8-methoxy-1-oxa-2-azaspiro[4.5]deca-2,7,9-trien-3-yl)-1-hydroxy-4-oxobutyl]phenoxy]propyl]-6-hydroxy-8-methoxy-1-oxa-2-azaspiro[4.5]deca-2,7,9-triene-3-carboxamide

AlkaPlorer ID: AK333264

Synonym: None

IUPAC Name: 7,9-dibromo-N-[3-[2,6-dibromo-4-[4-(7,9-dibromo-6-hydroxy-8-methoxy-1-oxa-2-azaspiro[4.5]deca-2,7,9-trien-3-yl)-1-hydroxy-4-oxobutyl]phenoxy]propyl]-6-hydroxy-8-methoxy-1-oxa-2-azaspiro[4.5]deca-2,7,9-triene-3-carboxamide

Structure

SMILES: COC1=C(Br)C(O)C2(C=C1Br)CC(C(=O)CCC(O)C1=CC(Br)=C(OCCCNC(=O)C3=NOC4(C=C(Br)C(OC)=C(Br)C4O)C3)C(Br)=C1)=NO2

InChI: InChI=1S/C32H31Br6N3O10/c1-47-26-17(35)10-31(28(44)23(26)37)12-19(40-50-31)22(43)5-4-21(42)14-8-15(33)25(16(34)9-14)49-7-3-6-39-30(46)20-13-32(51-41-20)11-18(36)27(48-2)24(38)29(32)45/h8-11,21,28-29,42,44-45H,3-7,12-13H2,1-2H3,(H,39,46)

InChIKey: ALJSMNFIGCNLRJ-UHFFFAOYSA-N

Reference

Determination of ephedrine alkaloids in Ephedra natural products using HPLC on a pentafluorophenylpropyl stationary phase

Ephedra in perspective – a current review

E. Teuscher und U. Lindequist: Biogene Gifte. Biologie — Chemie — Pharmakologie. 595 Seiten, 178 Abb., 57 Tab. Akademie‐Verlag, Berlin 1988. Preis: 85,— M.

PubChem CID: 163107166

COCONUT: CNP0427094.1

Source

Species	Genus	Family	Order	Class	Phylum	Kingdom	Domain

Properties Information

Molecule Weight: 1097.035

TPSA？: 177.73

MolLogP？: 6.322000000000006

Number of H-Donors: 4

Number of H-Acceptors: 12

RingCount: 5

Activities Information

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi