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Details

Stereochemistry ACHIRAL
Molecular Formula C20H22N6O5
Molecular Weight 426.4259
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 4-DEFLUORO RALTEGRAVIR

SMILES

CN1C(=O)C(O)=C(N=C1C(C)(C)NC(=O)C2=NN=C(C)O2)C(=O)NCC3=CC=CC=C3

InChI

InChIKey=COAAUZDDPLHEFT-UHFFFAOYSA-N
InChI=1S/C20H22N6O5/c1-11-24-25-17(31-11)16(29)23-20(2,3)19-22-13(14(27)18(30)26(19)4)15(28)21-10-12-8-6-5-7-9-12/h5-9,27H,10H2,1-4H3,(H,21,28)(H,23,29)

HIDE SMILES / InChI
Molecular Formula C20H22N6O5
Molecular Weight 426.4259
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Unknown
149124
Substance Class Chemical
Created
by admin
on Wed Apr 02 13:12:17 GMT 2025
Edited
by admin
on Wed Apr 02 13:12:17 GMT 2025
Record UNII
GW9D8B48NG
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
4-DEFLUORO RALTEGRAVIR
Common Name English
RALTEGRAVIR POTASSIUM IMPURITY E [EP IMPURITY]
Preferred Name English
RALTEGRAVIR RELATED COMPOUND E [USP IMPURITY]
Common Name English
N-BENZYL-5-HYDROXY-1-METHYL-2-(2-((5-METHYL-1,3,4-OXADIAZOL-2-YL)FORMAMIDO)PROPAN-2-YL)-6-OXO-1,6-DIHYDROPYRIMIDINE-4-CARBOXAMIDE
Systematic Name English
RALTEGRAVIR RELATED COMPOUND E [USP-RS]
Common Name English
4-PYRIMIDINECARBOXAMIDE, 1,6-DIHYDRO-5-HYDROXY-1-METHYL-2-(1-METHYL-1-(((5-METHYL-1,3,4-OXADIAZOL-2-YL)CARBONYL)AMINO)ETHYL)-6-OXO-N-(PHENYLMETHYL)-
Systematic Name English
Code System Code Type Description
FDA UNII
GW9D8B48NG
Created by admin on Wed Apr 02 13:12:17 GMT 2025 , Edited by admin on Wed Apr 02 13:12:17 GMT 2025
PRIMARY
RS_ITEM_NUM
1598267
Created by admin on Wed Apr 02 13:12:17 GMT 2025 , Edited by admin on Wed Apr 02 13:12:17 GMT 2025
PRIMARY
PUBCHEM
137552082
Created by admin on Wed Apr 02 13:12:17 GMT 2025 , Edited by admin on Wed Apr 02 13:12:17 GMT 2025
PRIMARY
CAS
1193687-87-4
Created by admin on Wed Apr 02 13:12:17 GMT 2025 , Edited by admin on Wed Apr 02 13:12:17 GMT 2025
PRIMARY
Related Record Type Details
Structure of RALTEGRAVIR POTASSIUM
PARENT -> IMPURITY
CHROMATOGRAPHIC PURITY (HPLC/UV)
USP
Structure of RALTEGRAVIR POTASSIUM
PARENT -> IMPURITY
CHROMATOGRAPHIC PURITY (HPLC/UV)
EP
NIH
NCATS
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