Basic Searches
Searches without any special characters (listed below) will return items that contain the exact value(s) entered in the search field. This means that searching for "ASPIRIN CALCIUM" won't return any items that have "ASPIRIN GLYCINE CALCIUM" because the search term doesn't match exactly.
Boolean Operators
OR - searches with terms separated by " OR " will return items that contain any of the terms in the search.
Example: "ASPIRIN" OR "CALCIUM" will return items that have strings like "ASPIRIN GLYCINE" and "GLYCINE CALCIUM" because they contain at least one of the terms in the search.

AND - searches with terms separated by " AND " will return items that contain all the terms in the search.
Example: "ASPIRIN" AND "CALCIUM" won't return items that have strings "ASPIRIN GLYCINE" and "GLYCINE CALCIUM" because neither contain both terms, but it will return "ASPIRIN GLYCINE CALCIUM" because it contains both search terms.
version 2.7.1
Substance Class Chemical
Record UNII
G7MM186D7U
Record Status Validated
Record Version
Show Definitional References Hide Definitional References
Download

Details

Stereochemistry ACHIRAL
Molecular Formula C28H26F4N2OS.C4H4O4
Molecular Weight 630.65
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 1
Charge 0
Created by admin on Wed Aug 04 05:54:22 EDT 2021
Edited by admin on Wed Aug 04 05:54:22 EDT 2021
Structure of DUOPERONE FUMARATE

Systematic Names:

  • None recorded

SMILES

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

InChI

YETRXLVOWPGIHR-WLHGVMLRSA-N
InChI=1S/C28H26F4N2OS.C4H4O4/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;5-3(6)1-2-4(7)8/h1-2,4-11,18,20H,3,12-17H2;1-2H,(H,5,6)(H,7,8)/b;2-1+
Name Type Language Details Access References
DUOPERONE FUMARATE
Domain Jurisdiction Naming Organization
drug  
USAN  
USAN  
Official Name
English  
P-FLUOROPHENYL 1-(3-(2-(TRIFLUOROMETHYL)PHENOTHIAZIN-10-YL)PROPYL)-4-PIPERIDYL KETONE FUMARATE (1:1)
Common Name
English  
METHANONE, (4-FLUOROPHENYL)(1-(3-(2-(TRIFLUOROMETHYL)-10H-PHENOTHIAZIN-10-YL)PROPYL)-4-PIPERIDINYL)-, (E)-2-BUTENEDIOATE (1:1)
Systematic Name
English  
DUOPERONE FUMARATE [USAN]
Common Name
English  
AHR-6646
Code
English  
AHR 6646
Code
English  
Classification Tree Code System Code Access References
NCI_THESAURUS C29710
Created by admin on Wed Aug 04 05:54:22 EDT 2021 , Edited by admin on Wed Aug 04 05:54:22 EDT 2021
Code System Code Type Description Access References
CAS
62030-89-1
Created by admin on Wed Aug 04 05:54:22 EDT 2021 , Edited by admin on Wed Aug 04 05:54:22 EDT 2021
PRIMARY
ChEMBL
CHEMBL2110736
Created by admin on Wed Aug 04 05:54:22 EDT 2021 , Edited by admin on Wed Aug 04 05:54:22 EDT 2021
PRIMARY
FDA UNII
G7MM186D7U
Created by admin on Wed Aug 04 05:54:22 EDT 2021 , Edited by admin on Wed Aug 04 05:54:22 EDT 2021
PRIMARY
NCI_THESAURUS
C74170
Created by admin on Wed Aug 04 05:54:22 EDT 2021 , Edited by admin on Wed Aug 04 05:54:22 EDT 2021
PRIMARY
PUBCHEM
12404417
Created by admin on Wed Aug 04 05:54:22 EDT 2021 , Edited by admin on Wed Aug 04 05:54:22 EDT 2021
PRIMARY
Related Record Type Details Access References
PARENT -> SALT/SOLVATE
none
none
Mediator Substance Details
none
Created by admin on Wed Aug 04 05:54:22 EDT 2021 , Edited by admin on Wed Aug 04 05:54:22 EDT 2021
PARENT -> SALT/SOLVATE
none
none
Mediator Substance Details
none
Created by admin on Wed Aug 04 05:54:22 EDT 2021 , Edited by admin on Wed Aug 04 05:54:22 EDT 2021
Related Record Type Details Access References
ACTIVE MOIETY
none
none
Mediator Substance Details
none
Created by admin on Wed Aug 04 05:54:22 EDT 2021 , Edited by admin on Wed Aug 04 05:54:22 EDT 2021
Note Access References
[Validation]WARNING:Each fragment should be present as a separate record in the database. Please register: FC1=CC=C(C=C1)C(=O)C2CCN(CCCN3C4=C(SC5=C3C=C(C=C5)C(F)(F)F)C=CC=C4)CC2
Created Wed Aug 04 05:54:22 EDT 2021
Created By admin
Last Edited Wed Aug 04 05:54:22 EDT 2021
Last Edited By admin
Index Source Text / Citation Source Type Tags Date Accessed File Access
1 SRS CODE IMPORT SRS NOMEN Fri Apr 28 14:29:03 EDT 2017
2 STN STN (SCIFINDER)
3 DUOPERONE FUMARATE [USAN] SRS_LOCATOR
4 USP DICT SRS NOMEN
5 SYSTEM
6 USP Dictionary 2010 SRS NOMEN
7 GSRS System-generated Validation messages VALIDATION_MESSAGE Wed Aug 04 05:54:21 EDT 2021
8 SRS import [G7MM186D7U] SRS NOMEN Fri Apr 28 14:29:03 EDT 2017
9 dump-public-2021-07-22_UPDATED.gsrs BATCH_IMPORT Wed Aug 04 05:54:21 EDT 2021
10 USP DICTIONARY 2011 SRS NOMEN
11 USP DICTIONARY 2010 SRS NOMEN PUBLIC_DOMAIN_RELEASE AUTO_SELECTED

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

Molecular Formula C4H4O4
Molecular Weight 116.0722
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 1
Optical Activity NONE