1-((1,1'-BIPHENYL)-4-YLHYDROXYAMINO)-1-DEOXY-.BETA.-D-GLUCOPYRANURONIC ACID

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C18H19NO7
Molecular Weight	361.346
Optical Activity	UNSPECIFIED
Defined Stereocenters	5 / 5
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 1-((1,1'-BIPHENYL)-4-YLHYDROXYAMINO)-1-DEOXY-.BETA.-D-GLUCOPYRANURONIC ACID

Structure Search

SMILES

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

InChI

InChIKey=SMIMBJWOGCTHGZ-ZOFXXKQRSA-N

InChI=1S/C18H19NO7/c20-13-14(21)16(18(23)24)26-17(15(13)22)19(25)12-8-6-11(7-9-12)10-4-2-1-3-5-10/h1-9,13-17,20-22,25H,(H,23,24)/t13-,14-,15+,16-,17+/m0/s1

HIDE SMILES / InChI

Molecular Formula	C18H19NO7
Molecular Weight	361.346
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 18:36:40 GMT 2023` Edited by `admin` on `Sat Dec 16 18:36:40 GMT 2023`
Record UNII	KRE4EAL66E
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

1-((1,1'-BIPHENYL)-4-YLHYDROXYAMINO)-1-DEOXY-.BETA.-D-GLUCOPYRANURONIC ACID

Systematic Name

English

.BETA.-D-GLUCOPYRANURONIC ACID, 1-((1,1'-BIPHENYL)-4-YLHYDROXYAMINO)-1-DEOXY-

Systematic Name

English

(2S,3S,4S,5R,6R)-3,4,5-TRIHYDROXY-6-(N-HYDROXY-4-PHENYLANILINO)OXANE-2-CARBOXYLIC ACID

Systematic Name

English

N-4-BIPHENYLYL-N-HYDROXY-.BETA.-D-GLUCOPYRANURONOSYLAMINE

Systematic Name

English

Code System Code Type Description

PUBCHEM

153399

Created by admin on Sat Dec 16 18:36:41 GMT 2023 , Edited by admin on Sat Dec 16 18:36:41 GMT 2023

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EPA CompTox

DTXSID70993435

Created by admin on Sat Dec 16 18:36:41 GMT 2023 , Edited by admin on Sat Dec 16 18:36:41 GMT 2023

PRIMARY

CAS

72586-62-0

Created by admin on Sat Dec 16 18:36:41 GMT 2023 , Edited by admin on Sat Dec 16 18:36:41 GMT 2023

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FDA UNII

KRE4EAL66E

Created by admin on Sat Dec 16 18:36:41 GMT 2023 , Edited by admin on Sat Dec 16 18:36:41 GMT 2023

PRIMARY

Related Record Type Details


					631Q456SY5

SODIUM 1-((1,1'-BIPHENYL)-4-YLHYDROXYAMINO)-1-DEOXY-.BETA.-D-GLUCOPYRANURONATE

SALT/SOLVATE -> PARENT

Amount: