1,1'-(DISULFANEDIYLBIS(METHYLENE-(2R,5S)-1,3-OXATHIOLANE-2,5-DIYL))BIS(4-AMINO-5-FLUOROPYRIMIDIN-2(1H)-ONE)

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)

Structure Search

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

Molecular Formula	C16H14F2N6O4S4
Molecular Weight	520.577
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	4 / 4
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Mon Mar 31 23:40:36 GMT 2025` Edited by `admin` on `Mon Mar 31 23:40:36 GMT 2025`
Record UNII	7N3B9DY4NJ
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

1,1'-(DISULFANEDIYLBIS(METHYLENE-(2R,5S)-1,3-OXATHIOLANE-2,5-DIYL))BIS(4-AMINO-5-FLUOROPYRIMIDIN-2(1H)-ONE)

Systematic Name

English

EMTRICITABINE IMPURITY I

Preferred 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

Code System Code Type Description

FDA UNII

7N3B9DY4NJ

Created by admin on Mon Mar 31 23:40:36 GMT 2025 , Edited by admin on Mon Mar 31 23:40:36 GMT 2025

PRIMARY

PUBCHEM

162623948

Created by admin on Mon Mar 31 23:40:36 GMT 2025 , Edited by admin on Mon Mar 31 23:40:36 GMT 2025

PRIMARY

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