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Details

Stereochemistry ACHIRAL
Molecular Formula C28H26F4N2OS
Molecular Weight 514.577
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of DUOPERONE

SMILES

FC1=CC=C(C=C1)C(=O)C2CCN(CCCN3C4=CC=CC=C4SC5=CC=C(C=C35)C(F)(F)F)CC2

InChI

InChIKey=XMUZRUCADGTCPX-UHFFFAOYSA-N
InChI=1S/C28H26F4N2OS/c29-22-9-6-19(7-10-22)27(35)20-12-16-33(17-13-20)14-3-15-34-23-4-1-2-5-25(23)36-26-11-8-21(18-24(26)34)28(30,31)32/h1-2,4-11,18,20H,3,12-17H2

HIDE SMILES / InChI

Molecular Formula C28H26F4N2OS
Molecular Weight 514.577
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 17:52:32 UTC 2023
Edited
by admin
on Sat Dec 16 17:52:32 UTC 2023
Record UNII
E84FJ4KW3B
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
DUOPERONE
INN  
INN  
Official Name English
duoperone [INN]
Common Name English
METHANONE, (4-FLUOROPHENYL)(1-(3-(2-(TRIFLUOROMETHYL)-10H-PHENOTHIAZIN-10-YL)ROPYL)-PIPERIDINYL)
Common Name English
P-FLUOROPHENYL 1-(3-(2-(TRIFLUOROMETHYL)PHENOTHIAZIN-10-YL)PROPYL)-4-PIPERIDYL KETONE
Common Name English
Classification Tree Code System Code
NCI_THESAURUS C740
Created by admin on Sat Dec 16 17:52:32 UTC 2023 , Edited by admin on Sat Dec 16 17:52:32 UTC 2023
NCI_THESAURUS C29710
Created by admin on Sat Dec 16 17:52:32 UTC 2023 , Edited by admin on Sat Dec 16 17:52:32 UTC 2023
Code System Code Type Description
ChEMBL
CHEMBL2110736
Created by admin on Sat Dec 16 17:52:32 UTC 2023 , Edited by admin on Sat Dec 16 17:52:32 UTC 2023
PRIMARY
MESH
C054030
Created by admin on Sat Dec 16 17:52:32 UTC 2023 , Edited by admin on Sat Dec 16 17:52:32 UTC 2023
PRIMARY
FDA UNII
E84FJ4KW3B
Created by admin on Sat Dec 16 17:52:32 UTC 2023 , Edited by admin on Sat Dec 16 17:52:32 UTC 2023
PRIMARY
SMS_ID
100000080498
Created by admin on Sat Dec 16 17:52:32 UTC 2023 , Edited by admin on Sat Dec 16 17:52:32 UTC 2023
PRIMARY
NCI_THESAURUS
C65499
Created by admin on Sat Dec 16 17:52:32 UTC 2023 , Edited by admin on Sat Dec 16 17:52:32 UTC 2023
PRIMARY
CAS
62030-88-0
Created by admin on Sat Dec 16 17:52:32 UTC 2023 , Edited by admin on Sat Dec 16 17:52:32 UTC 2023
PRIMARY
PUBCHEM
43876
Created by admin on Sat Dec 16 17:52:32 UTC 2023 , Edited by admin on Sat Dec 16 17:52:32 UTC 2023
PRIMARY
EPA CompTox
DTXSID20866903
Created by admin on Sat Dec 16 17:52:32 UTC 2023 , Edited by admin on Sat Dec 16 17:52:32 UTC 2023
PRIMARY
EVMPD
SUB06428MIG
Created by admin on Sat Dec 16 17:52:32 UTC 2023 , Edited by admin on Sat Dec 16 17:52:32 UTC 2023
PRIMARY
INN
5828
Created by admin on Sat Dec 16 17:52:32 UTC 2023 , Edited by admin on Sat Dec 16 17:52:32 UTC 2023
PRIMARY
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SALT/SOLVATE -> PARENT
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