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Details

Stereochemistry ACHIRAL
Molecular Formula C16H19FN4O3.H2O
Molecular Weight 352.3607
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of RALTEGRAVIR AMINE MONOHYDRATE

SMILES

O.CN1C(=O)C(O)=C(N=C1C(C)(C)N)C(=O)NCC2=CC=C(F)C=C2

InChI

InChIKey=ACNLZZFJKOUEGB-UHFFFAOYSA-N
InChI=1S/C16H19FN4O3.H2O/c1-16(2,18)15-20-11(12(22)14(24)21(15)3)13(23)19-8-9-4-6-10(17)7-5-9;/h4-7,22H,8,18H2,1-3H3,(H,19,23);1H2

HIDE SMILES / InChI

Molecular Formula H2O
Molecular Weight 18.0153
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula C16H19FN4O3
Molecular Weight 334.3455
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 16 19:25:47 UTC 2022
Edited
by admin
on Fri Dec 16 19:25:47 UTC 2022
Record UNII
DG3FSK9KL1
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
RALTEGRAVIR AMINE MONOHYDRATE
Common Name English
4-PYRIMIDINECARBOXAMIDE, 2-(1-AMINO-1-METHYLETHYL)-N-((4-FLUOROPHENYL)METHYL)-1,6-DIHYDRO-5-HYDROXY-1-METHYL-6-OXO-, HYDRATE (1:1)
Systematic Name English
Code System Code Type Description
FDA UNII
DG3FSK9KL1
Created by admin on Fri Dec 16 19:25:47 UTC 2022 , Edited by admin on Fri Dec 16 19:25:47 UTC 2022
PRIMARY
CAS
1926131-90-9
Created by admin on Fri Dec 16 19:25:47 UTC 2022 , Edited by admin on Fri Dec 16 19:25:47 UTC 2022
PRIMARY
PUBCHEM
131842306
Created by admin on Fri Dec 16 19:25:47 UTC 2022 , Edited by admin on Fri Dec 16 19:25:47 UTC 2022
PRIMARY
Related Record Type Details
ANHYDROUS->SOLVATE
PARENT -> SALT/SOLVATE