EMTRICITABINE SULFOXIDE

Details

Stereochemistry	EPIMERIC
Molecular Formula	C8H10FN3O4S
Molecular Weight	263.246
Optical Activity	UNSPECIFIED
Defined Stereocenters	2 / 3
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

NC1=NC(=O)N(C=C1F)[C@@H]2C[S+]([O-])[C@H](CO)O2

InChI

InChIKey=DMOMZPWPIDCLMB-YGFFCSEESA-N

InChI=1S/C8H10FN3O4S/c9-4-1-12(8(14)11-7(4)10)5-3-17(15)6(2-13)16-5/h1,5-6,13H,2-3H2,(H2,10,11,14)/t5-,6+,17?/m0/s1

HIDE SMILES / InChI

Molecular Formula	C8H10FN3O4S
Molecular Weight	263.246
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	2 / 2
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 09:45:09 UTC 2023` Edited by `admin` on `Sat Dec 16 09:45:09 UTC 2023`
Record UNII	Y00K47B026
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

EMTRICITABINE SULFOXIDE

Common Name

English

2(1H)-PYRIMIDINONE, 4-AMINO-5-FLUORO-1-((2R,5S)-2-(HYDROXYMETHYL)-3-OXIDO-1,3-OXATHIOLAN-5-YL)-

Systematic Name

English

2(1H)-PYRIMIDINONE, 4-AMINO-5-FLUORO-1-(2-(HYDROXYMETHYL)-1,3-OXATHIOLAN-5-YL)-, S-OXIDE, (2R-(2.ALPHA.,5.ALPHA.))-

Systematic Name

English

EMTRICITABINE S-OXIDE

Common Name

English

Code System Code Type Description

PUBCHEM

10038386

Created by admin on Sat Dec 16 09:45:10 UTC 2023 , Edited by admin on Sat Dec 16 09:45:10 UTC 2023

PRIMARY

EPA CompTox

DTXSID90747694

Created by admin on Sat Dec 16 09:45:10 UTC 2023 , Edited by admin on Sat Dec 16 09:45:10 UTC 2023

PRIMARY

CAS

152128-77-3

Created by admin on Sat Dec 16 09:45:10 UTC 2023 , Edited by admin on Sat Dec 16 09:45:10 UTC 2023

PRIMARY

FDA UNII

Y00K47B026

Created by admin on Sat Dec 16 09:45:10 UTC 2023 , Edited by admin on Sat Dec 16 09:45:10 UTC 2023

PRIMARY

Related Record Type Details


					G70B4ETF4S

EMTRICITABINE

PARENT -> METABOLITE

Comments:

9% of dose

Interaction Type:

MAJOR

Qualification:

URINE

Amount: