(R)-3-(1-(2,3-DICHLORO-4-(PYRAZIN-2-YL)PHENYL)-2,2,2-TRIFLUOROETHYL)-1-METHYL-1-(1-METHYLPIPERIDIN-4-YL)UREA FUMARATE

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C20H22Cl2F3N5O.C4H4O4
Molecular Weight	592.395
Optical Activity	UNSPECIFIED
Defined Stereocenters	1 / 1
E/Z Centers	1
Charge	0

SHOW SMILES / InChI

Structure of (R)-3-(1-(2,3-DICHLORO-4-(PYRAZIN-2-YL)PHENYL)-2,2,2-TRIFLUOROETHYL)-1-METHYL-1-(1-METHYLPIPERIDIN-4-YL)UREA FUMARATE

Structure Search

SMILES

OC(=O)\C=C\C(O)=O.CN(C1CCN(C)CC1)C(=O)N[C@H](C2=C(Cl)C(Cl)=C(C=C2)C3=NC=CN=C3)C(F)(F)F

InChI

InChIKey=MKIYQJKYOGVYAA-GBSOSOQXSA-N

InChI=1S/C20H22Cl2F3N5O.C4H4O4/c1-29-9-5-12(6-10-29)30(2)19(31)28-18(20(23,24)25)14-4-3-13(16(21)17(14)22)15-11-26-7-8-27-15;5-3(6)1-2-4(7)8/h3-4,7-8,11-12,18H,5-6,9-10H2,1-2H3,(H,28,31);1-2H,(H,5,6)(H,7,8)/b;2-1+/t18-;/m1./s1

HIDE SMILES / InChI

Molecular Formula	C20H22Cl2F3N5O
Molecular Weight	476.323
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	1 / 1
E/Z Centers	0
Optical Activity	UNSPECIFIED

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

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 18:19:02 GMT 2023` Edited by `admin` on `Sat Dec 16 18:19:02 GMT 2023`
Record UNII	NH44WCG8CK
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

(R)-3-(1-(2,3-DICHLORO-4-(PYRAZIN-2-YL)PHENYL)-2,2,2-TRIFLUOROETHYL)-1-METHYL-1-(1-METHYLPIPERIDIN-4-YL)UREA FUMARATE

Systematic Name

English

12-HM04 FUMARATE

Code

English

N'-((1R)-1-(2,3-DICHLORO-4-(2-PYRAZINYL)PHENYL)-2,2,2-TRIFLUOROETHYL)-N-METHYL-N-(1-METHYL-4-PIPERIDINYL)UREA FUMARIC ACID

Systematic Name

English

HM04 FUMARATE

Code

English

Code System Code Type Description

FDA UNII

NH44WCG8CK

Created by admin on Sat Dec 16 18:19:02 GMT 2023 , Edited by admin on Sat Dec 16 18:19:02 GMT 2023

PRIMARY

CAS

2351934-04-6

Created by admin on Sat Dec 16 18:19:02 GMT 2023 , Edited by admin on Sat Dec 16 18:19:02 GMT 2023

PRIMARY

PUBCHEM

138689612

Created by admin on Sat Dec 16 18:19:02 GMT 2023 , Edited by admin on Sat Dec 16 18:19:02 GMT 2023

PRIMARY

SMS_ID

300000023903

Created by admin on Sat Dec 16 18:19:02 GMT 2023 , Edited by admin on Sat Dec 16 18:19:02 GMT 2023

PRIMARY

Related Record Type Details


					F4T853Q8UK

(R)-3-(1-(2,3-DICHLORO-4-(PYRAZIN-2-YL)PHENYL)-2,2,2-TRIFLUOROETHYL)-1-METHYL-1-(1-METHYLPIPERIDIN-4-YL)UREA

PARENT -> SALT/SOLVATE

Amount: