Derquantel

enlarge

Systematic / IUPAC Name: (1R,3S,5R,7S,12R)-12-Hydroxy-4,4,4',4',12,14-hexamethyl-9',10'-dihydro-4'H,13H-spiro[9,14-diazatetracyclo[5.5.2.01,9 03,7]tetradecane-5,8'-[1,4]dioxepino[2,3-g]indol]-13-one

ID: Reference4896

Other Names: Derquantelum

Formula: C28H37N3O4

Class: Excipients/Additives/Colorants

Spectral Data

Derquantel mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.

View Mass Spectra

Available MS Data

Used Instruments Q Exactive Orbitrap
No. of Spectral Trees 1
No. of Spectra 119
Tandem Spectra MS1, MS2
Ionization Methods ESI
Analyzers FT
Last Modification 5/24/2016 9:34:12 AM
View Mass Spec Data > >

Identificators

InChI InChI=1S/C28H37N3O4/c1-23(2)10-12-34-21-18(35-23)8-7-17-20(21)29-15-26(17)14-27-16-31-11-9-25(5,33)28(31,22(32)30(27)6)13-19(27)24(26,3)4/h7-8,10,12,19,29,33H,9,11,13-16H2,1-6H3/t19-,25+,26-,27+,28-/m0/s1
InChI Key DYVLXWPZFQQUIU-WGNDVSEMSA-N
Canonical SMILES CC1(C=COC2=C(O1)C=CC3=C2NCC34CC56CN7CCC(C7(CC5C4(C)C)C(=O)N6C)(C)O)C
CAS
Splash
Other Names Derquantelum

In Other Databases

KEGG D09399
ChEMBL CHEMBL2103805
PubChem 25154194
ChemSpider 28529469