SULFINPYRAZONE-C-GLUCURONIDE

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C29H28N2O10S
Molecular Weight	596.605
Optical Activity	UNSPECIFIED
Defined Stereocenters	5 / 5
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of SULFINPYRAZONE-C-GLUCURONIDE

Structure Search

SMILES

[H][C@]1(O[C@@H]([C@@H](O)[C@H](O)[C@H]1O)C(O)=O)C3(CCS(=O)(=O)C2=CC=CC=C2)C(=O)N(N(C3=O)C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChIKey=RYSOXAAEAINHER-ARXROMJUSA-N

InChI=1S/C29H28N2O10S/c32-21-22(33)24(26(35)36)41-25(23(21)34)29(16-17-42(39,40)20-14-8-3-9-15-20)27(37)30(18-10-4-1-5-11-18)31(28(29)38)19-12-6-2-7-13-19/h1-15,21-25,32-34H,16-17H2,(H,35,36)/t21-,22-,23+,24-,25+/m0/s1

HIDE SMILES / InChI

Molecular Formula	C29H28N2O10S
Molecular Weight	596.605
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 13:31:12 GMT 2023` Edited by `admin` on `Sat Dec 16 13:31:12 GMT 2023`
Record UNII	Q9BR5Q8U97
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

SULFINPYRAZONE-C-GLUCURONIDE

Common Name

English

.BETA.-D-GLUCOPYRANURONIC ACID, 1-DEOXY-1-(3,5-DIOXO-1,2-DIPHENYL-4-(2-(PHENYLSULFONYL)ETHYL)-4-PYRAZOLIDINYL)-

Systematic Name

English

Code System Code Type Description

CAS

58648-69-4

Created by admin on Sat Dec 16 13:31:13 GMT 2023 , Edited by admin on Sat Dec 16 13:31:13 GMT 2023

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FDA UNII

Q9BR5Q8U97

Created by admin on Sat Dec 16 13:31:13 GMT 2023 , Edited by admin on Sat Dec 16 13:31:13 GMT 2023

PRIMARY

PUBCHEM

156028080

Created by admin on Sat Dec 16 13:31:13 GMT 2023 , Edited by admin on Sat Dec 16 13:31:13 GMT 2023

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SULFINPYRAZONE

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Comments:

Result of Glucuronide C-conjugation