SODIUM DIACETATE

Details

Stereochemistry	ACHIRAL
Molecular Formula	C2H4O2.C2H3O2.Na
Molecular Weight	142.0857
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

SMILES

[Na+].CC(O)=O.CC([O-])=O

InChI

InChIKey=BHZOKUMUHVTPBX-UHFFFAOYSA-M

InChI=1S/2C2H4O2.Na/c2*1-2(3)4;/h2*1H3,(H,3,4);/q;;+1/p-1

HIDE SMILES / InChI

Molecular Formula	Na
Molecular Weight	22.9898
Charge	1
Count	MOL RATIO 1 MOL RATIO (average)

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

Molecular Formula	C2H4O2
Molecular Weight	60.052
Charge	0
Count	MOL RATIO 2 MOL RATIO (average)

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

Description

Acetic acid (a component of vinagre) is used in medicine for the treatment of otitis externa caused by bacterial infections. The solution containing acetic acid was approved by FDA.

CNS Activity

Approval Year

Targets

Primary Target	Pharmacology	Condition	Potency
cyanide ions 11	Binding Agent 1,064

Conditions

Condition	Modality	Targets	Highest Phase	Product
Cyanide poisoning 16	Curative		Approved 8,429	CYANOKIT
Otitis externa 20	Curative		Approved 8,429	VOSOL

AUC

Value	Dose	Co-administered	Analyte	Population
4511.6 μM × h	5 g single, intravenous		HYDROXOCOBALAMIN plasma	Homo sapiens

T_1/2

Value	Dose	Co-administered	Analyte	Population
26.2 h	5 g single, intravenous		HYDROXOCOBALAMIN plasma	Homo sapiens

Doses

Doses

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Dose	Population	Adverse events
20 mg 1 times / day multiple, intramuscular	unhealthy, 13 years
20 g single, intravenous Highest studied dose	unhealthy, 26.9 years
5 g single, intravenous Overdose	unhealthy, 3 years
5 g single, intravenous	unhealthy, 62 years
2000 ug 2 times / day multiple, oral	unhealthy, adult

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Overview

CYP3A4	CYP2C9	CYP2D6	hERG

OverviewOther

Other Inhibitor	Other Substrate	Other Inducer
CYP450 25	CYP450 65	CYP450 32

Drug as perpetrator

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Target	Modality	Activity	Metabolite	Clinical evidence
CYP450 41	inducer 1,573	unlikely
CYP450 41	inhibitor 3,277	unlikely

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Drug as victim

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Target	Modality	Activity	Metabolite	Clinical evidence
CYP450 65	substrate 3,367	unlikely

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Sourcing

Sourcing

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Vendor/Aggregator	ID	URL
Achemtek	0104-008537	http://www.achemtek.com/13422-51-0
AK Scientific, Inc. (AKSCI)	V1817	http://www.aksci.com/item_detail.php?cat=V1817
Alfa Chemistry	13422-51-0	https://www.alfa-chemistry.com/hydroxocobalamin-cas-13422-51-0-item-290050.htm
Aurora Fine Chemicals LLC	A13.110.814	http://online.aurorafinechemicals.com/info?ID=A13.110.814
BioCyc	CPD0-1256	https://biocyc.org/compound?orgid=META&id=CPD0-1256

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PubMed

Show entries

Title	Date	PubMed
Modification of drug action by hyperammonemia.	1984 Apr	6323692
Enzymes of vitamin B6 degradation. Purification and properties of two N-acetylamidohydrolases.	1985 Feb 25	3972793
Oral antinociception and oedema inhibition produced by NPC 18884, a non-peptidic bradykinin B2 receptor antagonist.	1999 Sep	10543429
Analgesic and anti-inflammatory effects of Mangifera indica L. extract (Vimang).	2001 Feb	11180516
Pharmacodynamic effects and plasma pharmacokinetics of single doses of cetrorelix acetate in healthy premenopausal women.	2001 Feb	11172833

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Sample Use Guides

In Vivo Use Guide

Cyanokit (hydroxocobalamin for injection): one 5 g vial is a complete starting dose

Route of Administration: Intravenous

In Vitro Use Guide

Unknown

Substance Class	Chemical
Record UNII	26WJH3CS0B
Record Status	`Validated (UNII)`
Record Version

Show entries

Name

Type

Language

SODIUM DIACETATE

Systematic Name

English

E-262(II)

Code

English

INS NO.262(II)

Code

English

SODIUM DIACETATE [MI]

Common Name

English

SODIUM HYDROGEN DIACETATE

Systematic Name

English

Showing 1 to 5 of 10 entries

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Classification Tree

Code System

Code

EPA PESTICIDE

EPA PESTICIDE CODE

44008

Preservative

JECFA EVALUATION

INS-262(II)

Subpart B--Listing of Specific Substances Affirmed as GRAS

CFR

21 CFR 184.1754

Preservative

CODEX ALIMENTARIUS (GSFA)

INS-262(II)

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Code System

Code

Type

Description

MERCK INDEX

m10013

PRIMARY

Merck Index

RXCUI

1547632

PRIMARY

RxNorm

WIKIPEDIA

SODIUM DIACETATE

PRIMARY

MESH

C548838

PRIMARY

DAILYMED

26WJH3CS0B

PRIMARY

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SMILES

InChI

CNS Activity

Approval Year

Targets

Conditions

AUC

T1/2

Doses

Overview

OverviewOther

Drug as perpetrator​

Drug as victim

Sourcing

PubMed

Patents

Sample Use Guides

T_1/2

Drug as perpetrator