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Hydroxyguanidine

HCID 80668
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Basic informationOverviewNames & identifiersPropertiesSafety & regulationChemistry & industryRelated reactionsCompound notes
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Basic information

CAS
13115-21-4
Standard SMILES
NC(N)=NO
InChIKey
WFBHRSAKANVBKH-UHFFFAOYSA-N
Molecular formula
CH5N3O
Average molar mass
75.07 g/mol
Monoisotopic mass
75.04326179

Overview

N-hydroxyguanidine is a member of the class of guanidines that is guanidine in which one of the hydrogens attached to the nitrogen at position 1 is substituted by a hydroxy group. It has a role as an antiviral agent and an antineoplastic agent. It is a member of guanidines and a one-carbon compound. It is functionally related to a guanidine and a carbamimidoylazanium. It is a conjugate base of a N-hydroxyguanidinium.

Names & identifiers

Preferred name
Hydroxyguanidine
IUPAC
2-hydroxyguanidine
English name
HYDROXYGUANIDINE SULFATE
Molecular formula
CH5N3O
Molecular weight
75.07

Names & synonyms

N-HYDROXYGUANIDINEHydroxyguanidine1-hydroxyguanidine2-Hydroxyguanidine13115-21-4Guanidine, hydroxy-NSC-5293578767F421T7CHEBI:43089DTXSID00156915RefChem:147187DTXCID7079406
Show more names
Nsc529357Guanidine, N-hydroxy-
N''-HYDROXYGUANIDINEguanidine, N''-hydroxy-, acetateHGUNSC 529357UREA, OXIMESCHEMBL116224SCHEMBL116225SCHEMBL374101

Database identifiers

CAS
13115-21-4
PubChem CID
80668
DTXSID
DTXSID00156915
ChEMBL
CHEMBL309499
ChEBI
CHEBI:43089
UNII
8767F421T7
Nikkaji
J415.411H

Properties

Computed structural properties

XLogP
-1.2
Topological polar surface area
84.6 Ų
Hydrogen bond donors
3
Hydrogen bond acceptors
2
Rotatable bonds
0
Heavy atoms
5
Formal charge
0
Complexity
44.9

Experimental & physicochemical properties

DrugsPharmaceuticals -> Listed in ZINC15

Physicochemical properties

storage temp.
2 · 2-8°C
FDA UNII
8767 F421T7 · 8767F421T7
WGK Germany
3 · 3

Safety & regulation

Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.

Safety data

wgk
3

Chemistry & industry

Pharmacology

MeSH Pharmacological Classification · 2 items

Substances that inhibit or prevent the proliferation of NEOPLASMS.

Agents used in the prophylaxis or therapy of VIRUS DISEASES. Some of the ways they may act include preventing viral replication by inhibiting viral DNA polymerase; binding to specific cell-surface receptors and inhibiting viral penetration or uncoating; inhibiting viral protein synthesis; or blocking late stages of virus assembly.

Applications

UsesHydroxyguanidine is a dopamine β-hydroxylase substrate.

Upstream & downstream products

Downstream products

5-cyclopropyl-1,2,4-oxadiazol-3-amine(SALTDATA: FREE)

Suppliers8 total

Hangzhou Sage Chemical Co., Ltd.+86057186818502 13588463833 · [email protected]
安耐吉化学&3A(安徽泽升科技有限公司)021-58432009 400-005-6266 · [email protected]
Alfa Chemistry1-516-6625404 · [email protected]
韶远科技(上海)有限公司4000665055 · [email protected]
Alfa Chemistry+1-5166625404 · [email protected]
河北贞佳新材料有限公司0319-5925599 13315915972 · [email protected]

Related reactions

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Compound notes

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On this pageBasic informationOverviewNames & identifiersPropertiesSafety & regulationChemistry & industryRelated reactionsCompound notes
上海安米克化学品有限公司微信 18019252918 18019252918 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]

Additional notes

DefinitionChEBI: A member of the class of guanidines that is guanidine in which one of the hydrogens attached to the nitrogen at position 1 is substituted by a hydroxy group.