PHENOLPHTHALEIN GLUCURONIDE SODIUM

Details

Stereochemistry	EPIMERIC
Molecular Formula	C26H21O10.Na
Molecular Weight	516.4287
Optical Activity	UNSPECIFIED
Defined Stereocenters	5 / 6
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of PHENOLPHTHALEIN GLUCURONIDE SODIUM

Structure Search

SMILES

[Na+].O[C@@H]1[C@@H](O)[C@H](OC2=CC=C(C=C2)C3(OC(=O)C4=CC=CC=C34)C5=CC=C(O)C=C5)O[C@@H]([C@H]1O)C([O-])=O

InChI

InChIKey=GBLJULUMBNYFAK-PDFLYTMFSA-M

InChI=1S/C26H22O10.Na/c27-15-9-5-13(6-10-15)26(18-4-2-1-3-17(18)24(33)36-26)14-7-11-16(12-8-14)34-25-21(30)19(28)20(29)22(35-25)23(31)32;/h1-12,19-22,25,27-30H,(H,31,32);/q;+1/p-1/t19-,20-,21+,22-,25+,26?;/m0./s1

HIDE SMILES / InChI

Molecular Formula	C26H21O10
Molecular Weight	493.4389
Charge	-1
Count

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

Molecular Formula	Na
Molecular Weight	22.9898
Charge	1
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	0
Optical Activity	NONE

Approval Year

PubMed

Title	Date	PubMed
Stable expression of a human liver UDP-glucuronosyltransferase (UGT2B15) with activity toward steroid and xenobiotic substrates.	1994 Sep-Oct	7835232
Adenosine triphosphate-dependent transport of anionic conjugates by the rabbit multidrug resistance-associated protein Mrp2 expressed in insect cells.	1998 Jun	9614209
Biliary excretion of phenolphthalein glucuronide in the rat.	2001 Jun	11348857

Substance Class	Chemical Created by `admin` on `Sat Dec 16 12:51:29 GMT 2023` Edited by `admin` on `Sat Dec 16 12:51:29 GMT 2023`
Record UNII	7929713226
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

PHENOLPHTHALEIN GLUCURONIDE SODIUM

Common Name

English

PHENOLPHTHALEIN .BETA.-D-GLUCURONIDE SODIUM SALT

Systematic Name

English

.BETA.-D-GLUCOPYRANOSIDURONIC ACID, 4-(1,3-DIHYDRO-1-(4-HYDROXYPHENYL)-3-OXO-1-ISOBENZOFURANYL)PHENYL, SODIUM SALT (1:1)

Systematic Name

English

PHENOLPHTHALEIN GLUCURONIDE, SODIUM SALT

Common Name

English

Code System Code Type Description

FDA UNII

7929713226

Created by admin on Sat Dec 16 12:51:29 GMT 2023 , Edited by admin on Sat Dec 16 12:51:29 GMT 2023

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CAS

6820-54-8

Created by admin on Sat Dec 16 12:51:29 GMT 2023 , Edited by admin on Sat Dec 16 12:51:29 GMT 2023

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PUBCHEM

23708193

Created by admin on Sat Dec 16 12:51:29 GMT 2023 , Edited by admin on Sat Dec 16 12:51:29 GMT 2023

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EPA CompTox

DTXSID9025871

Created by admin on Sat Dec 16 12:51:29 GMT 2023 , Edited by admin on Sat Dec 16 12:51:29 GMT 2023

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