AMMONIUM ACETATE

Details

Stereochemistry	ACHIRAL
Molecular Formula	C2H3O2.H4N
Molecular Weight	77.0825
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

SMILES

[NH4+].CC([O-])=O

InChI

InChIKey=USFZMSVCRYTOJT-UHFFFAOYSA-N

InChI=1S/C2H4O2.H3N/c1-2(3)4;/h1H3,(H,3,4);1H3

HIDE SMILES / InChI

Molecular Formula	C2H4O2
Molecular Weight	60.052
Charge	0
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	H3N
Molecular Weight	17.0305
Charge	0
Count	MOL RATIO 1 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
Metabolism of resorcinylic compounds by bacteria. Purification and properties of acetylpyruvate hydrolase from Pseudomonas putida 01.	1975 May 25	236305
Characterization of two novel propachlor degradation pathways in two species of soil bacteria.	1999 Feb	9925619
Subcellular localization of Rab17 by cryo-immunogold electron microscopy in epithelial cells grown on polycarbonate filters.	2001	11210537
Exploring infection of wheat and carbohydrate metabolism in Mycosphaerella graminicola transformants with differentially regulated green fluorescent protein expression.	2001 Feb	11204778
In vivo (13)C NMR measurement of neurotransmitter glutamate cycling, anaplerosis and TCA cycle flux in rat brain during.	2001 Feb	11181817

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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	RRE756S6Q2
Record Status	`Validated (UNII)`
Record Version

Show entries

Name

Type

Language

AMMONIUM ACETATE

Official Name

English

AMMONIUM ACETATE [INCI]

Common Name

English

AMMONIUM ACETICUM

Common Name

English

AMMONIUM ACETATE [MI]

Common Name

English

AMMONIUM ACETATE [MART.]

Common Name

English

Showing 1 to 5 of 9 entries

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Code System

Code

Type

Description

CAS

631-61-8

PRIMARY

ECHA (EC/EINECS)

211-162-9

PRIMARY

CHEBI

62947

PRIMARY

SMS_ID

100000088037

PRIMARY

RXCUI

1362883

PRIMARY

RxNorm

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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