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Details

Stereochemistry ABSOLUTE
Molecular Formula C16H14F2N6O4S4
Molecular Weight 520.577
Optical Activity UNSPECIFIED
Defined Stereocenters 4 / 4
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 1,1'-(DISULFANEDIYLBIS(METHYLENE-(2R,5S)-1,3-OXATHIOLANE-2,5-DIYL))BIS(4-AMINO-5-FLUOROPYRIMIDIN-2(1H)-ONE)

SMILES

NC1=NC(=O)N(C=C1F)[C@H]2O[C@@H](SS[C@@H]3O[C@H](N4C=C(F)C(N)=NC4=O)C(=C)S3)SC2=C

InChI

InChIKey=XYJVBKUCNWZIGL-YXAMBPQSSA-N
InChI=1S/C16H14F2N6O4S4/c1-5-11(23-3-7(17)9(19)21-13(23)25)27-15(29-5)31-32-16-28-12(6(2)30-16)24-4-8(18)10(20)22-14(24)26/h3-4,11-12,15-16H,1-2H2,(H2,19,21,25)(H2,20,22,26)/t11-,12-,15+,16+/m0/s1

HIDE SMILES / InChI

Approval Year

Name Type Language
1,1'-(DISULFANEDIYLBIS(METHYLENE-(2R,5S)-1,3-OXATHIOLANE-2,5-DIYL))BIS(4-AMINO-5-FLUOROPYRIMIDIN-2(1H)-ONE)
WHO-IP  
Systematic Name English
1,1'-(DISULFANEDIYLBIS(METHYLENE-(2R,5S)-1,3-OXATHIOLANE-2,5-DIYL))BIS(4-AMINO-5-FLUOROPYRIMIDIN-2(1H)-ONE) [WHO-IP]
Systematic Name English
EMTRICITABINE IMPURITY I
Common Name English
Code System Code Type Description
FDA UNII
7N3B9DY4NJ
Created by admin on Sat Dec 16 11:10:19 GMT 2023 , Edited by admin on Sat Dec 16 11:10:19 GMT 2023
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PUBCHEM
162623948
Created by admin on Sat Dec 16 11:10:19 GMT 2023 , Edited by admin on Sat Dec 16 11:10:19 GMT 2023
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