DUOPERONE FUMARATE

Details

Stereochemistry	ACHIRAL
Molecular Formula	C28H26F4N2OS.C4H4O4
Molecular Weight	630.65
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	1
Charge	0

SHOW SMILES / InChI

Structure Search

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

InChIKey=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+

HIDE SMILES / InChI

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

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 `Fri Dec 15 15:26:28 UTC 2023` Edited by `admin` on `Fri Dec 15 15:26:28 UTC 2023`
Record UNII	G7MM186D7U
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

DUOPERONE FUMARATE

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

AHR-6646

Code

English

AHR 6646

Code

English

DUOPERONE FUMARATE [USAN]

Common Name

English

Classification Tree Code System Code

NCI_THESAURUS

C29710