AZOSULFAMIDE

Details

Stereochemistry	ACHIRAL
Molecular Formula	C18H14N4O10S3.2Na
Molecular Weight	588.499
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	1
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

[Na+].[Na+].CC(=O)NC1=CC2=C(C=C1S([O-])(=O)=O)C=C(C(\N=N\C3=CC=C(C=C3)S(N)(=O)=O)=C2O)S([O-])(=O)=O

InChI

InChIKey=YAZZWQFMIGUHKS-ZPZFBZIMSA-L

InChI=1S/C18H16N4O10S3.2Na/c1-9(23)20-14-8-13-10(6-15(14)34(27,28)29)7-16(35(30,31)32)17(18(13)24)22-21-11-2-4-12(5-3-11)33(19,25)26;;/h2-8,24H,1H3,(H,20,23)(H2,19,25,26)(H,27,28,29)(H,30,31,32);;/q;2*+1/p-2/b22-21+;;

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	C18H14N4O10S3
Molecular Weight	542.52
Charge	-2
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	1
Optical Activity	NONE

Approval Year

Doses

Dose	Population	Adverse events
23.5 g 1 times / day multiple, oral (mean) Recommended Dose: 23.5 g, 1 times / day Route: oral Route: multiple Dose: 23.5 g, 1 times / day Sources: https://jamanetwork.com/journals/jama/article-abstract/282163	unhealthy, 13-83 n = 84 Health Status: unhealthy Condition: infection Age Group: 13-83 Population Size: 84 Sources: https://jamanetwork.com/journals/jama/article-abstract/282163	Disc. AE: Gastrointestinal disorders, Chills and fever... Other AEs: Toxic reaction (NOS), Cyanosis... AEs leading to discontinuation/dose reduction: Gastrointestinal disorders (4 patients) Chills and fever (1 patient) Other AEs: Toxic reaction (NOS) (15.4%) Cyanosis (4 patients) Sources: https://jamanetwork.com/journals/jama/article-abstract/282163

AEs

AE	Significance	Dose	Population
Chills and fever	1 patient Disc. AE	23.5 g 1 times / day multiple, oral (mean) Recommended Dose: 23.5 g, 1 times / day Route: oral Route: multiple Dose: 23.5 g, 1 times / day Sources: https://jamanetwork.com/journals/jama/article-abstract/282163	unhealthy, 13-83 n = 84 Health Status: unhealthy Condition: infection Age Group: 13-83 Population Size: 84 Sources: https://jamanetwork.com/journals/jama/article-abstract/282163
Toxic reaction (NOS)	15.4%	23.5 g 1 times / day multiple, oral (mean) Recommended Dose: 23.5 g, 1 times / day Route: oral Route: multiple Dose: 23.5 g, 1 times / day Sources: https://jamanetwork.com/journals/jama/article-abstract/282163	unhealthy, 13-83 n = 84 Health Status: unhealthy Condition: infection Age Group: 13-83 Population Size: 84 Sources: https://jamanetwork.com/journals/jama/article-abstract/282163
Cyanosis	4 patients	23.5 g 1 times / day multiple, oral (mean) Recommended Dose: 23.5 g, 1 times / day Route: oral Route: multiple Dose: 23.5 g, 1 times / day Sources: https://jamanetwork.com/journals/jama/article-abstract/282163	unhealthy, 13-83 n = 84 Health Status: unhealthy Condition: infection Age Group: 13-83 Population Size: 84 Sources: https://jamanetwork.com/journals/jama/article-abstract/282163
Gastrointestinal disorders	4 patients Disc. AE	23.5 g 1 times / day multiple, oral (mean) Recommended Dose: 23.5 g, 1 times / day Route: oral Route: multiple Dose: 23.5 g, 1 times / day Sources: https://jamanetwork.com/journals/jama/article-abstract/282163	unhealthy, 13-83 n = 84 Health Status: unhealthy Condition: infection Age Group: 13-83 Population Size: 84 Sources: https://jamanetwork.com/journals/jama/article-abstract/282163

Sourcing

Vendor/Aggregator	ID	URL
3B Scientific (Wuhan) Corp	3B3-049401	http://www.3bsc.com/index/pro_info.php?id=86932
ABI Chem	AC1NUGVF
ABI Chem	AC1NUYZQ
ABI Chem	AC1O6XN8
ABI Chem	AC1OAAER
AN PharmaTech	AN-23080
BOC Sciences	133-60-8	https://www.bocsci.com/azosulfamide-cas-133-60-8-item-69302.html
ChemMol	49415867	http://www.chemmol.com/chemmol/49415867.html
ChemTik	CTK0H9987
DTP/NCI	402615	http://dtp.nci.nih.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=402615
Japan Chemical Substance Dictionary (Nikkaji)	J74.691F	http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J74.691F
MuseChem	M068498	https://www.musechem.com/product/M068498.html
NovoSeek	5478154
NovoSeek	6537962
Parchem	86401	https://www.parchem.com/chemical-supplier-distributor/Azosulphamide-086401.aspx
PubChem	101987877	https://pubchem.ncbi.nlm.nih.gov/compound/101987877
PubChem	135502426	https://pubchem.ncbi.nlm.nih.gov/compound/135502426
PubChem	8624	https://pubchem.ncbi.nlm.nih.gov/compound/8624
PubChem	8625	https://pubchem.ncbi.nlm.nih.gov/compound/8625
Smolecule	S520337	http://www.smolecule.com/products/s520337
Smolecule	S562935	https://www.smolecule.com/products/s562935
THE BioTek	bt-260825	https://www.thebiotek.com/product/inhibitors/bt-260825
ZINC	ZINC261161909	http://zinc.docking.org/substances/ZINC261161909/
ZINC	ZINC28863804	http://zinc.docking.org/substances/ZINC28863804/

Substance Class	Chemical Created by `admin` on `Fri Dec 15 15:17:10 GMT 2023` Edited by `admin` on `Fri Dec 15 15:17:10 GMT 2023`
Record UNII	Z69KWU34JE
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

AZOSULFAMIDE

Systematic Name

English

DISODIUM 2-(4'-SULFAMYLPHENYLAZO)-7-ACETAMIDO-1-HYDROXYNAPHTHALENE-3,6-DISULFONATE

Common Name

English

NSC-402615

Code

English

NEOPRONTOSIL

Brand Name

English

Code System Code Type Description

ECHA (EC/EINECS)

205-114-6