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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

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

Approval Year

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
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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
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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
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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
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