OCHRATOXIN A SODIUM

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 Search

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

Molecular Formula	Na
Molecular Weight	22.9898
Charge	1
Count

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

Molecular Formula	C20H17ClNO6
Molecular Weight	402.805
Charge	-1
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	2 / 2
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 08:13:18 UTC 2023` Edited by `admin` on `Sat Dec 16 08:13:18 UTC 2023`
Record UNII	LU2A4O8EY3
Record Status	`Validated (UNII)`
Record Version

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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

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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

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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