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Details

Stereochemistry ABSOLUTE
Molecular Formula C14H18FN3O9S
Molecular Weight 423.371
Optical Activity UNSPECIFIED
Defined Stereocenters 7 / 7
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of EMTRICITABINE-2'-O-GLUCURONIDE

SMILES

NC1=NC(=O)N(C=C1F)[C@@H]2CS[C@H](CO[C@@H]3O[C@@H]([C@@H](O)[C@H](O)[C@H]3O)C(O)=O)O2

InChI

InChIKey=KLILDKWVMCMYID-ANAKBQEJSA-N
InChI=1S/C14H18FN3O9S/c15-4-1-18(14(24)17-11(4)16)5-3-28-6(26-5)2-25-13-9(21)7(19)8(20)10(27-13)12(22)23/h1,5-10,13,19-21H,2-3H2,(H,22,23)(H2,16,17,24)/t5-,6+,7-,8-,9+,10-,13+/m0/s1

HIDE SMILES / InChI

Molecular Formula C14H18FN3O9S
Molecular Weight 423.371
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 7 / 7
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Record UNII
A05BWI66K0
Record Status Validated (UNII)
Record Version