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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 of BIA 3-476

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

Approval Year

Name Type Language
BIA 3-476
Code English
2-HYDROXY-3-NITRO-5-(2-PHENYLACETYL)PHENYL .BETA.-D-GLUCOPYRANOSIDURONIC ACID
Systematic Name English
.BETA.-D-GLUCOPYRANOSIDURONIC ACID, 2-HYDROXY-3-NITRO-5-(2-PHENYLACETYL)PHENYL
Systematic Name English
Code System Code Type Description
CAS
473789-98-9
Created by admin on Sat Dec 16 16:41:06 GMT 2023 , Edited by admin on Sat Dec 16 16:41:06 GMT 2023
PRIMARY
PUBCHEM
16664357
Created by admin on Sat Dec 16 16:41:06 GMT 2023 , Edited by admin on Sat Dec 16 16:41:06 GMT 2023
PRIMARY
FDA UNII
K6TPI5QM7E
Created by admin on Sat Dec 16 16:41:06 GMT 2023 , Edited by admin on Sat Dec 16 16:41:06 GMT 2023
PRIMARY