U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ABSOLUTE
Molecular Formula C28H37N3O4
Molecular Weight 479.6111
Optical Activity UNSPECIFIED
Defined Stereocenters 5 / 5
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of DERQUANTEL

SMILES

[H][C@@]12CC34N(CC[C@@]3(C)O)C[C@@]1(C[C@@]5(CNC6=C5C=CC7=C6OC=CC(C)(C)O7)C2(C)C)N(C)C4=O

InChI

InChIKey=DYVLXWPZFQQUIU-WGNDVSEMSA-N
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

HIDE SMILES / InChI

Approval Year

Name Type Language
DERQUANTEL
INN   USAN  
USAN   INN  
Official Name English
(1S,6R,7R,9S,11R)-6-HYDROXY-4',4',6,10,10,13-HEXAMETHYL-9',10'-DIHYDRO-4'H-SPIRO(3,13-DIAZATETRACYCLO(5.5.2.0(SUP 1,9).0(SUP 3,7))TETRADECANE-11,8'-(1,4)DIOXEPINO(2,3-G)INDOL)-14-ONE
Systematic Name English
PF-00520904
Code English
DERQUANTEL [USAN]
Common Name English
(1'R,5'AS,7'R,8'AS,9'AR)-1'-HYDROXY-1',4,4,8',8',11'-HEXAMETHYL-2',3',8'A,9,9',10-HEXAHYDROSPIRO(4H,8H-(1,4)DIOXEPINO(2,3-G)INDOLE-8,7'(8'H)-(5H,6H-5A,9A)(IMINOMETHANO)(1H)CYCLOPENTA(F)INDOLIZIN)-10'-ONE
Common Name English
SPIRO(4H,8H-(1,4)DIOXEPINO(2,3-G)INDOLE-8,7'(8'H)-(5H,6H-5A,9A)(IMINOMETHANO)(1H)CYCLOPENT(F)INDOLIZIN)-10'-ONE, 2',3',8'A,9,9',10-HEXAHYDRO-1'-HYDROXY-1',4,4,8',8',11'-HEXAMETHYL-, (1'R,5'AS,7'R,8'AS,9'AR)-
Common Name English
derquantel [INN]
Common Name English
Classification Tree Code System Code
NCI_THESAURUS C250
Created by admin on Fri Dec 15 16:04:56 UTC 2023 , Edited by admin on Fri Dec 15 16:04:56 UTC 2023
Code System Code Type Description
PUBCHEM
25154194
Created by admin on Fri Dec 15 16:04:56 UTC 2023 , Edited by admin on Fri Dec 15 16:04:56 UTC 2023
PRIMARY
NCI_THESAURUS
C75969
Created by admin on Fri Dec 15 16:04:56 UTC 2023 , Edited by admin on Fri Dec 15 16:04:56 UTC 2023
PRIMARY
SMS_ID
300000028992
Created by admin on Fri Dec 15 16:04:56 UTC 2023 , Edited by admin on Fri Dec 15 16:04:56 UTC 2023
PRIMARY
ChEMBL
CHEMBL2103805
Created by admin on Fri Dec 15 16:04:55 UTC 2023 , Edited by admin on Fri Dec 15 16:04:55 UTC 2023
PRIMARY
FDA UNII
0L0UGK6OOX
Created by admin on Fri Dec 15 16:04:56 UTC 2023 , Edited by admin on Fri Dec 15 16:04:56 UTC 2023
PRIMARY
CAS
187865-22-1
Created by admin on Fri Dec 15 16:04:55 UTC 2023 , Edited by admin on Fri Dec 15 16:04:55 UTC 2023
PRIMARY
USAN
TT-57
Created by admin on Fri Dec 15 16:04:56 UTC 2023 , Edited by admin on Fri Dec 15 16:04:56 UTC 2023
PRIMARY
EPA CompTox
DTXSID50940260
Created by admin on Fri Dec 15 16:04:55 UTC 2023 , Edited by admin on Fri Dec 15 16:04:55 UTC 2023
PRIMARY
INN
9031
Created by admin on Fri Dec 15 16:04:56 UTC 2023 , Edited by admin on Fri Dec 15 16:04:56 UTC 2023
PRIMARY