DIOLAMINE GLUCURONATE

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NCATS

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C6H10O7.C4H11NO2
Molecular Weight	299.275
Optical Activity	UNSPECIFIED
Defined Stereocenters	4 / 4
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of DIOLAMINE GLUCURONATE

Structure Search

SMILES

OCCNCCO.O[C@@H](C=O)[C@@H](O)[C@H](O)[C@H](O)C(O)=O

InChI

InChIKey=XQUKNPFXQIBKCF-JSCKKFHOSA-N

InChI=1S/C6H10O7.C4H11NO2/c7-1-2(8)3(9)4(10)5(11)6(12)13;6-3-1-5-2-4-7/h1-5,8-11H,(H,12,13);5-7H,1-4H2/t2-,3+,4-,5-;/m0./s1

HIDE SMILES / InChI

Molecular Formula	C4H11NO2
Molecular Weight	105.1356
Charge	0
Count

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

Molecular Formula	C6H10O7
Molecular Weight	194.1394
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	4 / 4
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 12:34:24 UTC 2023` Edited by `admin` on `Sat Dec 16 12:34:24 UTC 2023`
Record UNII	QV7V2WC3TT
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

DIOLAMINE GLUCURONATE

Common Name

English

D-GLUCURONIC ACID, COMPOUND WITH 2,2'-IMINOBIS(ETHANOL) (1:1)

Common Name

English

DIETHANOLAMINE GLUCURONATE

Common Name

English

ETHANOL, 2,2'-IMINOBIS-, D-GLUCURONATE (SALT)

Common Name

English

Diethanolamine glucuronate [WHO-DD]

Common Name

English

Code System Code Type Description

CAS

94108-04-0

Created by admin on Sat Dec 16 12:34:24 UTC 2023 , Edited by admin on Sat Dec 16 12:34:24 UTC 2023

PRIMARY

FDA UNII

QV7V2WC3TT

Created by admin on Sat Dec 16 12:34:24 UTC 2023 , Edited by admin on Sat Dec 16 12:34:24 UTC 2023

PRIMARY

SMS_ID

100000181267

Created by admin on Sat Dec 16 12:34:24 UTC 2023 , Edited by admin on Sat Dec 16 12:34:24 UTC 2023

PRIMARY

ECHA (EC/EINECS)

302-341-3

Created by admin on Sat Dec 16 12:34:24 UTC 2023 , Edited by admin on Sat Dec 16 12:34:24 UTC 2023

PRIMARY

PUBCHEM

44148640

Created by admin on Sat Dec 16 12:34:24 UTC 2023 , Edited by admin on Sat Dec 16 12:34:24 UTC 2023

PRIMARY

CAS

95444-99-8

Created by admin on Sat Dec 16 12:34:24 UTC 2023 , Edited by admin on Sat Dec 16 12:34:24 UTC 2023

NON-SPECIFIC STEREOCHEMISTRY

EPA CompTox

DTXSID60240561

Created by admin on Sat Dec 16 12:34:24 UTC 2023 , Edited by admin on Sat Dec 16 12:34:24 UTC 2023

PRIMARY

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