3-HYDROXY YM-208876 GLUCURONIDE

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C22H28N2O8
Molecular Weight	448.4663
Optical Activity	UNSPECIFIED
Defined Stereocenters	6 / 6
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 3-HYDROXY YM-208876 GLUCURONIDE

Structure Search

SMILES

NC1=CC=C(CCNC[C@H](O)C2=CC=CC=C2)C=C1O[C@@H]3O[C@@H]([C@@H](O)[C@H](O)[C@H]3O)C(O)=O

InChI

InChIKey=RTUDXGJPMYKMKG-CQCZEFQHSA-N

InChI=1S/C22H28N2O8/c23-14-7-6-12(8-9-24-11-15(25)13-4-2-1-3-5-13)10-16(14)31-22-19(28)17(26)18(27)20(32-22)21(29)30/h1-7,10,15,17-20,22,24-28H,8-9,11,23H2,(H,29,30)/t15-,17-,18-,19+,20-,22+/m0/s1

HIDE SMILES / InChI

Molecular Formula	C22H28N2O8
Molecular Weight	448.4663
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	6 / 6
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sun Dec 18 02:40:24 UTC 2022` Edited by `admin` on `Sun Dec 18 02:40:24 UTC 2022`
Record UNII	COV0W5ZLZF
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

3-HYDROXY YM-208876 GLUCURONIDE

Common Name

English

MIRABEGRON (M17)

Common Name

English

(2S,3S,4S,5R,6S)-6-(2-AMINO-5-(2-(((R)-2-HYDROXY-2-PHENYLETHYL)AMINO)ETHYL)PHENOXY)-3,4,5-TRIHYDROXYTETRAHYDRO-2H-PYRAN-2-CARBOXYLIC ACID

Systematic Name

English

Code System Code Type Description

PUBCHEM

91827072

Created by admin on Sun Dec 18 02:40:24 UTC 2022 , Edited by admin on Sun Dec 18 02:40:24 UTC 2022

PRIMARY

FDA UNII

COV0W5ZLZF

Created by admin on Sun Dec 18 02:40:24 UTC 2022 , Edited by admin on Sun Dec 18 02:40:24 UTC 2022

PRIMARY

Related Record Type Details


					MVR3JL3B2V

MIRABEGRON

PARENT -> METABOLITE

Qualification:

URINE