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Details

Stereochemistry ABSOLUTE
Molecular Formula C20H17ClNO6.Na
Molecular Weight 425.795
Optical Activity UNSPECIFIED
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of OCHRATOXIN A SODIUM

SMILES

[Na+].C[C@@H]1CC2=C(Cl)C=C(C(=O)N[C@@H](CC3=CC=CC=C3)C([O-])=O)C(O)=C2C(=O)O1

InChI

InChIKey=HXNIIXUGQQXXLM-VSLILLSYSA-M
InChI=1S/C20H18ClNO6.Na/c1-10-7-12-14(21)9-13(17(23)16(12)20(27)28-10)18(24)22-15(19(25)26)8-11-5-3-2-4-6-11;/h2-6,9-10,15,23H,7-8H2,1H3,(H,22,24)(H,25,26);/q;+1/p-1/t10-,15+;/m1./s1

HIDE SMILES / InChI

Approval Year

Name Type Language
OCHRATOXIN A SODIUM
Common Name English
OCHRATOXIN A SODIUM, (-)-
Common Name English
OCHRATOXIN A, SODIUM SALT
Common Name English
L-PHENYLALANINE, N-((5-CHLORO-3,4-DIHYDRO-8-HYDROXY-3-METHYL-1-OXO-1H-2-BENZOPYRAN-7-YL)CARBONYL)-, MONOSODIUM SALT, (R)-
Systematic Name English
Code System Code Type Description
PUBCHEM
121596546
Created by admin on Sat Dec 16 08:13:18 UTC 2023 , Edited by admin on Sat Dec 16 08:13:18 UTC 2023
PRIMARY
EPA CompTox
DTXSID001009061
Created by admin on Sat Dec 16 08:13:18 UTC 2023 , Edited by admin on Sat Dec 16 08:13:18 UTC 2023
PRIMARY
CAS
89930-55-2
Created by admin on Sat Dec 16 08:13:18 UTC 2023 , Edited by admin on Sat Dec 16 08:13:18 UTC 2023
PRIMARY
FDA UNII
LU2A4O8EY3
Created by admin on Sat Dec 16 08:13:18 UTC 2023 , Edited by admin on Sat Dec 16 08:13:18 UTC 2023
PRIMARY