BIA 3-476

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C20H19NO11
Molecular Weight	449.365
Optical Activity	UNSPECIFIED
Defined Stereocenters	5 / 5
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

O[C@@H]1[C@@H](O)[C@H](OC2=C(O)C(=CC(=C2)C(=O)CC3=CC=CC=C3)[N+]([O-])=O)O[C@@H]([C@H]1O)C(O)=O

InChI

InChIKey=PFWQQDNKKIMUAT-HBWRTXEVSA-N

InChI=1S/C20H19NO11/c22-12(6-9-4-2-1-3-5-9)10-7-11(21(29)30)14(23)13(8-10)31-20-17(26)15(24)16(25)18(32-20)19(27)28/h1-5,7-8,15-18,20,23-26H,6H2,(H,27,28)/t15-,16-,17+,18-,20+/m0/s1

HIDE SMILES / InChI

Molecular Formula	C20H19NO11
Molecular Weight	449.365
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 `Wed Apr 02 08:16:23 GMT 2025` Edited by `admin` on `Wed Apr 02 08:16:23 GMT 2025`
Record UNII	K6TPI5QM7E
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

BIA 3-476

Code

English

.BETA.-D-GLUCOPYRANOSIDURONIC ACID, 2-HYDROXY-3-NITRO-5-(2-PHENYLACETYL)PHENYL

Preferred Name

English

2-HYDROXY-3-NITRO-5-(2-PHENYLACETYL)PHENYL .BETA.-D-GLUCOPYRANOSIDURONIC ACID

Systematic Name

English

Code System Code Type Description

CAS

473789-98-9

Created by admin on Wed Apr 02 08:16:23 GMT 2025 , Edited by admin on Wed Apr 02 08:16:23 GMT 2025

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PUBCHEM

16664357

Created by admin on Wed Apr 02 08:16:23 GMT 2025 , Edited by admin on Wed Apr 02 08:16:23 GMT 2025

PRIMARY

FDA UNII

K6TPI5QM7E

Created by admin on Wed Apr 02 08:16:23 GMT 2025 , Edited by admin on Wed Apr 02 08:16:23 GMT 2025

PRIMARY

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