U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ABSOLUTE
Molecular Formula C13H22N4O7.C2HF3O2
Molecular Weight 460.3597
Optical Activity UNSPECIFIED
Defined Stereocenters 5 / 5
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of LANINAMIVIR TRIFLUOROACETATE

SMILES

OC(=O)C(F)(F)F.[H][C@]1(OC(=C[C@H](NC(N)=N)[C@H]1NC(C)=O)C(O)=O)[C@H](OC)[C@H](O)CO

InChI

InChIKey=DAGFMLSFZMOWFA-WWIZLJSCSA-N
InChI=1S/C13H22N4O7.C2HF3O2/c1-5(19)16-9-6(17-13(14)15)3-8(12(21)22)24-11(9)10(23-2)7(20)4-18;3-2(4,5)1(6)7/h3,6-7,9-11,18,20H,4H2,1-2H3,(H,16,19)(H,21,22)(H4,14,15,17);(H,6,7)/t6-,7+,9+,10+,11+;/m0./s1

HIDE SMILES / InChI

Molecular Formula C13H22N4O7
Molecular Weight 346.3364
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 5 / 5
E/Z Centers 0
Optical Activity UNSPECIFIED

Molecular Formula C2HF3O2
Molecular Weight 114.0233
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 Sat Dec 16 08:43:21 UTC 2023
Edited
by admin
on Sat Dec 16 08:43:21 UTC 2023
Record UNII
J516WFO3MJ
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
LANINAMIVIR TRIFLUOROACETATE
Common Name English
LANINAMIVIR TRIFLUOROACETATE SALT [MI]
Common Name English
D-GLYCERO-D-GALACTO-NON-2-ENONIC ACID, 5-(ACETYLAMINO)-4-((AMINOIMINOMETHYL)AMINO)-2,6-ANHYDRO-3,4,5-TRIDEOXY-7-O-METHYL-, MONO(TRIFLUOROACETATE) (SALT)
Common Name English
Code System Code Type Description
CAS
203120-18-7
Created by admin on Sat Dec 16 08:43:22 UTC 2023 , Edited by admin on Sat Dec 16 08:43:22 UTC 2023
PRIMARY
FDA UNII
J516WFO3MJ
Created by admin on Sat Dec 16 08:43:22 UTC 2023 , Edited by admin on Sat Dec 16 08:43:22 UTC 2023
PRIMARY
PUBCHEM
11753979
Created by admin on Sat Dec 16 08:43:22 UTC 2023 , Edited by admin on Sat Dec 16 08:43:22 UTC 2023
PRIMARY
MERCK INDEX
m6676
Created by admin on Sat Dec 16 08:43:22 UTC 2023 , Edited by admin on Sat Dec 16 08:43:22 UTC 2023
PRIMARY Merck Index
Related Record Type Details
PARENT -> SALT/SOLVATE