EMTRICITABINE-2'-O-GLUCURONIDE

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

Structure Search

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

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	7 / 7
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Mon Mar 31 22:42:16 GMT 2025` Edited by `admin` on `Mon Mar 31 22:42:16 GMT 2025`
Record UNII	A05BWI66K0
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

EMTRICITABINE O-.BETA.-D-GLUCURONIDE

Preferred Name

English

EMTRICITABINE-2'-O-GLUCURONIDE

Common Name

English

.BETA.-D-GLUCOPYRANOSIDURONIC ACID, (5-(4-AMINO-5-FLUORO-2-OXO-1(2H)-PYRIMIDINYL)-1,3-OXATHIOLAN-2-YL)METHYL, (2R-CIS)

Systematic Name

English

Code System Code Type Description

EPA CompTox

DTXSID40438762

Created by admin on Mon Mar 31 22:42:16 GMT 2025 , Edited by admin on Mon Mar 31 22:42:16 GMT 2025

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FDA UNII

A05BWI66K0

Created by admin on Mon Mar 31 22:42:16 GMT 2025 , Edited by admin on Mon Mar 31 22:42:16 GMT 2025

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CAS

152128-78-4

Created by admin on Mon Mar 31 22:42:16 GMT 2025 , Edited by admin on Mon Mar 31 22:42:16 GMT 2025

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PUBCHEM

10364982

Created by admin on Mon Mar 31 22:42:16 GMT 2025 , Edited by admin on Mon Mar 31 22:42:16 GMT 2025

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EMTRICITABINE

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