5-HYDROXYPINDOLOL GLUCURONIDE

Details

Stereochemistry	EPIMERIC
Molecular Formula	C20H28N2O9
Molecular Weight	440.4443
Optical Activity	UNSPECIFIED
Defined Stereocenters	5 / 6
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 5-HYDROXYPINDOLOL GLUCURONIDE

Structure Search

SMILES

CC(C)NCC(O)COC1=C(O[C@@H]2O[C@@H]([C@@H](O)[C@H](O)[C@H]2O)C(O)=O)C=CC3=C1C=CN3

InChI

InChIKey=FMXLNVBIEVNHDJ-MMUJPXLYSA-N

InChI=1S/C20H28N2O9/c1-9(2)22-7-10(23)8-29-17-11-5-6-21-12(11)3-4-13(17)30-20-16(26)14(24)15(25)18(31-20)19(27)28/h3-6,9-10,14-16,18,20-26H,7-8H2,1-2H3,(H,27,28)/t10?,14-,15-,16+,18-,20+/m0/s1

HIDE SMILES / InChI

Molecular Formula	C20H28N2O9
Molecular Weight	440.4443
Charge	0
Count

Stereochemistry	EPIMERIC
Additional Stereochemistry	No
Defined Stereocenters	5 / 6
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 09:34:02 GMT 2023` Edited by `admin` on `Sat Dec 16 09:34:02 GMT 2023`
Record UNII	5HS67P99VT
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

5-HYDROXYPINDOLOL GLUCURONIDE

Common Name

English

.BETA.-D-GLUCOPYRANOSIDURONIC ACID, 4-(2-HYDROXY-3-((1-METHYLETHYL)AMINO)PROPOXY)-1H-INDOL-5-YL

Systematic Name

English

Code System Code Type Description

FDA UNII

5HS67P99VT

Created by admin on Sat Dec 16 09:34:02 GMT 2023 , Edited by admin on Sat Dec 16 09:34:02 GMT 2023

PRIMARY

PUBCHEM

91810524

Created by admin on Sat Dec 16 09:34:02 GMT 2023 , Edited by admin on Sat Dec 16 09:34:02 GMT 2023

PRIMARY

CAS

58670-77-2

Created by admin on Sat Dec 16 09:34:02 GMT 2023 , Edited by admin on Sat Dec 16 09:34:02 GMT 2023

PRIMARY

Related Record Type Details


					BJ4HF6IU1D

PINDOLOL

PARENT -> METABOLITE

Qualification:

URINE