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Details

Stereochemistry ABSOLUTE
Molecular Formula C27H28BrF4N3O4.ClH
Molecular Weight 650.887
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of Ethyl 4-[[(1R)-2-[5-bromo-3-[[2-fluoro-6-(trifluoromethyl)phenyl]methyl]-3,6-dihydro-4-methyl-2,6-dioxo-1(2H)-pyrimidinyl]-1-phenylethyl]amino]butanoate hydrochloride

SMILES

Cl.CCOC(=O)CCCN[C@@H](CN1C(=O)N(CC2=C(C=CC=C2F)C(F)(F)F)C(C)=C(Br)C1=O)C3=CC=CC=C3

InChI

InChIKey=LEBGWKGQUUJGKN-FTBISJDPSA-N
InChI=1S/C27H28BrF4N3O4.ClH/c1-3-39-23(36)13-8-14-33-22(18-9-5-4-6-10-18)16-35-25(37)24(28)17(2)34(26(35)38)15-19-20(27(30,31)32)11-7-12-21(19)29;/h4-7,9-12,22,33H,3,8,13-16H2,1-2H3;1H/t22-;/m0./s1

HIDE SMILES / InChI

Molecular Formula ClH
Molecular Weight 36.461
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula C27H28BrF4N3O4
Molecular Weight 614.427
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 1 / 1
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 19:20:03 GMT 2023
Edited
by admin
on Sat Dec 16 19:20:03 GMT 2023
Record UNII
QTM3XJ9GGT
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
Ethyl 4-[[(1R)-2-[5-bromo-3-[[2-fluoro-6-(trifluoromethyl)phenyl]methyl]-3,6-dihydro-4-methyl-2,6-dioxo-1(2H)-pyrimidinyl]-1-phenylethyl]amino]butanoate hydrochloride
Systematic Name English
Butanoic acid, 4-[[(1R)-2-[5-bromo-3-[[2-fluoro-6-(trifluoromethyl)phenyl]methyl]-3,6-dihydro-4-methyl-2,6-dioxo-1(2H)-pyrimidinyl]-1-phenylethyl]amino]-, ethyl ester, hydrochloride (1:1)
Systematic Name English
Code System Code Type Description
PUBCHEM
166451417
Created by admin on Sat Dec 16 19:20:03 GMT 2023 , Edited by admin on Sat Dec 16 19:20:03 GMT 2023
PRIMARY
FDA UNII
QTM3XJ9GGT
Created by admin on Sat Dec 16 19:20:03 GMT 2023 , Edited by admin on Sat Dec 16 19:20:03 GMT 2023
PRIMARY
CAS
2617827-24-2
Created by admin on Sat Dec 16 19:20:03 GMT 2023 , Edited by admin on Sat Dec 16 19:20:03 GMT 2023
PRIMARY