DEFERIPRONE 3-O-.BETA.-D-GLUCURONIDE

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C13H17NO8
Molecular Weight	315.276
Optical Activity	UNSPECIFIED
Defined Stereocenters	5 / 5
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of DEFERIPRONE 3-O-.BETA.-D-GLUCURONIDE

Structure Search

SMILES

CN1C=CC(=O)C(O[C@@H]2O[C@@H]([C@@H](O)[C@H](O)[C@H]2O)C(O)=O)=C1C

InChI

InChIKey=VOJFZOAEFOZFIL-JDQAZDLZSA-N

InChI=1S/C13H17NO8/c1-5-10(6(15)3-4-14(5)2)21-13-9(18)7(16)8(17)11(22-13)12(19)20/h3-4,7-9,11,13,16-18H,1-2H3,(H,19,20)/t7-,8-,9+,11-,13+/m0/s1

HIDE SMILES / InChI

Molecular Formula	C13H17NO8
Molecular Weight	315.276
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 08:46:15 GMT 2023` Edited by `admin` on `Sat Dec 16 08:46:15 GMT 2023`
Record UNII	1QOS5ADQ2R
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

DEFERIPRONE 3-O-.BETA.-D-GLUCURONIDE

Common Name

English

.BETA.-D-GLUCOPYRANOSIDURONIC ACID, 1,4-DIHYDRO-1,2-DIMETHYL-4-OXO-3-PYRIDINYL

Systematic Name

English

CP 20 3-GLUCURONIDE

Common Name

English

DEFERIPRONE METABOLITE M2 (3-O-GLUCURONIDE)

Common Name

English

CP 20 3-O-GLUCURONIDE

Common Name

English

Code System Code Type Description

EPA CompTox

DTXSID70675865

Created by admin on Sat Dec 16 08:46:15 GMT 2023 , Edited by admin on Sat Dec 16 08:46:15 GMT 2023

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FDA UNII

1QOS5ADQ2R

Created by admin on Sat Dec 16 08:46:15 GMT 2023 , Edited by admin on Sat Dec 16 08:46:15 GMT 2023

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CAS

141675-48-1

Created by admin on Sat Dec 16 08:46:15 GMT 2023 , Edited by admin on Sat Dec 16 08:46:15 GMT 2023

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PUBCHEM

10064278

Created by admin on Sat Dec 16 08:46:15 GMT 2023 , Edited by admin on Sat Dec 16 08:46:15 GMT 2023

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Related Record Type Details


					2BTY8KH53L

DEFERIPRONE

PARENT -> METABOLITE

Interaction Type:

MAJOR