2-AMINO-5-NITRO-4-(TRIFLUOROMETHYL)PHENOL, O-GLUCURONIDE

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C13H13F3N2O9
Molecular Weight	398.2455
Optical Activity	UNSPECIFIED
Defined Stereocenters	5 / 5
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 2-AMINO-5-NITRO-4-(TRIFLUOROMETHYL)PHENOL, O-GLUCURONIDE

Structure Search

SMILES

NC1=CC(=C(C=C1O[C@@H]2O[C@@H]([C@@H](O)[C@H](O)[C@H]2O)C(O)=O)[N+]([O-])=O)C(F)(F)F

InChI

InChIKey=HLPWBGUTFYMWSF-GOVZDWNOSA-N

InChI=1S/C13H13F3N2O9/c14-13(15,16)3-1-4(17)6(2-5(3)18(24)25)26-12-9(21)7(19)8(20)10(27-12)11(22)23/h1-2,7-10,12,19-21H,17H2,(H,22,23)/t7-,8-,9+,10-,12+/m0/s1

HIDE SMILES / InChI

Molecular Formula	C13H13F3N2O9
Molecular Weight	398.2455
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	5 / 5
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 09:32:40 GMT 2023` Edited by `admin` on `Sat Dec 16 09:32:40 GMT 2023`
Record UNII	7738DW5BP3
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

2-AMINO-5-NITRO-4-(TRIFLUOROMETHYL)PHENOL, O-GLUCURONIDE

Common Name

English

(2S,3S,4S,5R,6S)-6-(2-AMINO-5-NITRO-4-(TRIFLUOROMETHYL)PHENOXY)-3,4,5-TRIHYDROXYTETRAHYDRO-2H-PYRAN-2-CARBOXYLIC ACID

Systematic Name

English

Code System Code Type Description

FDA UNII

7738DW5BP3

Created by admin on Sat Dec 16 09:32:40 GMT 2023 , Edited by admin on Sat Dec 16 09:32:40 GMT 2023

PRIMARY

PUBCHEM

156613944

Created by admin on Sat Dec 16 09:32:40 GMT 2023 , Edited by admin on Sat Dec 16 09:32:40 GMT 2023

PRIMARY

Related Record Type Details


					76W6J0943E

FLUTAMIDE

PARENT -> METABOLITE

Qualification:

URINE