SODIUM GENTISATE

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NCATS

Details

Stereochemistry	ACHIRAL
Molecular Formula	C7H5O4.Na
Molecular Weight	176.102
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of SODIUM GENTISATE

Structure Search

SMILES

[Na+].OC1=CC(C([O-])=O)=C(O)C=C1

InChI

InChIKey=MOIJZWWOFOQFMH-UHFFFAOYSA-M

InChI=1S/C7H6O4.Na/c8-4-1-2-6(9)5(3-4)7(10)11;/h1-3,8-9H,(H,10,11);/q;+1/p-1

HIDE SMILES / InChI

Molecular Formula	C7H5O4
Molecular Weight	153.1122
Charge	-1
Count

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

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

Approval Year

Substance Class	Chemical Created by `admin` on `Fri Dec 15 14:58:19 UTC 2023` Edited by `admin` on `Fri Dec 15 14:58:19 UTC 2023`
Record UNII	DX2PUD5H82
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

SODIUM GENTISATE

Official Name

English

sodium gentisate [INN]

Common Name

English

GENTISIC ACID SODIUM SALT

Common Name

English

SODIUM GENTISATE ANHYDROUS

Common Name

English

Sodium gentisate [WHO-DD]

Common Name

English

NSC-8512

Code

English

GENTISIC ACID SODIUM SALT [MI]

Common Name

English

SODIUM-2,5-DIHYDROXYBENZOATE

Systematic Name

English

Classification Tree Code System Code

NCI_THESAURUS

C241

Created by admin on Fri Dec 15 14:58:19 UTC 2023 , Edited by admin on Fri Dec 15 14:58:19 UTC 2023

CFR

21 CFR 310.201

Created by admin on Fri Dec 15 14:58:19 UTC 2023 , Edited by admin on Fri Dec 15 14:58:19 UTC 2023

Code System Code Type Description

ECHA (EC/EINECS)

225-598-2

Created by admin on Fri Dec 15 14:58:19 UTC 2023 , Edited by admin on Fri Dec 15 14:58:19 UTC 2023

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MERCK INDEX

m5703

Created by admin on Fri Dec 15 14:58:19 UTC 2023 , Edited by admin on Fri Dec 15 14:58:19 UTC 2023

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Merck Index

DAILYMED

DX2PUD5H82

Created by admin on Fri Dec 15 14:58:19 UTC 2023 , Edited by admin on Fri Dec 15 14:58:19 UTC 2023

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PUBCHEM

23663629

Created by admin on Fri Dec 15 14:58:19 UTC 2023 , Edited by admin on Fri Dec 15 14:58:19 UTC 2023

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NSC

8512

Created by admin on Fri Dec 15 14:58:19 UTC 2023 , Edited by admin on Fri Dec 15 14:58:19 UTC 2023

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FDA UNII

DX2PUD5H82

Created by admin on Fri Dec 15 14:58:19 UTC 2023 , Edited by admin on Fri Dec 15 14:58:19 UTC 2023

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EPA CompTox

DTXSID0063656

Created by admin on Fri Dec 15 14:58:19 UTC 2023 , Edited by admin on Fri Dec 15 14:58:19 UTC 2023

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CAS

4955-90-2

Created by admin on Fri Dec 15 14:58:19 UTC 2023 , Edited by admin on Fri Dec 15 14:58:19 UTC 2023

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ChEMBL

CHEMBL2107562

Created by admin on Fri Dec 15 14:58:19 UTC 2023 , Edited by admin on Fri Dec 15 14:58:19 UTC 2023

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RXCUI

2053265

Created by admin on Fri Dec 15 14:58:19 UTC 2023 , Edited by admin on Fri Dec 15 14:58:19 UTC 2023

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NCI_THESAURUS

C81390

Created by admin on Fri Dec 15 14:58:19 UTC 2023 , Edited by admin on Fri Dec 15 14:58:19 UTC 2023

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EVMPD

SUB10561MIG

Created by admin on Fri Dec 15 14:58:19 UTC 2023 , Edited by admin on Fri Dec 15 14:58:19 UTC 2023

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SMS_ID

100000083549

Created by admin on Fri Dec 15 14:58:19 UTC 2023 , Edited by admin on Fri Dec 15 14:58:19 UTC 2023

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INN

4156

Created by admin on Fri Dec 15 14:58:19 UTC 2023 , Edited by admin on Fri Dec 15 14:58:19 UTC 2023

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Related Record Type Details


					Y75S7S5FI3

SODIUM GENTISATE HYDRATE

SOLVATE->ANHYDROUS


					VP36V95O3T

PARENT -> SALT/SOLVATE