3-acetamido-5-amino-4-hydroxybenzenesulfonic Acid

3-(Acetylamino)-2-hydroxyaniline-5-sulfonic acid
3-(Acetylamino)-5-amino-4-hydroxybenzenesulfonic acid
3-Acetamido-2-hydroxyaniline-5-sulfonic acid
3-Amino-5-acetamido-4-hydroxybenzene-1-sulfonic acid
6-(Acetylamino)-2-amino-4-sulfophenol
6-(Acetylamino)-2-aminophenol-4-sulfonic acid
6-Acetamido-2-aminophenol-4-sulfonic acid
6-Acetylamino-2-amino-1-hydroxybenzene-4-sulfonic acid
Benzenesulfonic acid, 3-(acetylamino)-5-amino-4-hydroxy-

Property	Value
InChI2D key string chemrof:inchi2d_key_string	SFUJTLIHMWZDTL-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string	InChI=1S/C8H10N2O5S/c1-4(11)10-7-3-5(16(13,14)15)2-6(9)8(7)12/h2-3,12H,9H2,1H3,(H,10,11)(H,13,14,15)
IUPAC name chemrof:IUPAC_name	3-acetamido-5-amino-4-hydroxybenzenesulfonic Acid
Molecular formula chemrof:molecular_formula	C8H10N2O5S
Molecular mass chemrof:molecular_mass	246.244
Monoisotopic mass chemrof:monoisotopic_mass	246.031042
SMILES string chemrof:smiles_string	CC(=O)Nc1cc(S(=O)(=O)O)cc(N)c1O

Where else this substance is described. Collected while the pipeline resolved it — from ChEBI's cross-references, from PubChem's identifier list, and from the CAS number — so a link here is a record the merge actually read, not a search it suggests.

Resource	URL	Recorded by
CAS Common Chemistry	https://commonchemistry.cas.org/detail?cas_rn=40306-75-0	enrich_references.pubchem_identifier_url
chem.echa.europa.eu	https://chem.echa.europa.eu/100.049.873	enrich_references.pubchem_identifier_url
comptox.epa.gov	https://comptox.epa.gov/dashboard/DTXSID90885424	enrich_references.pubchem_identifier_url
dtp.cancer.gov	https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=229313	enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov	https://gsrs.ncats.nih.gov/ginas/app/beta/substances/XV96F4V45U	enrich_references.pubchem_identifier_url
jglobal.jst.go.jp	http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J43.068D	enrich_references.pubchem_identifier_url
PubChem	https://pubchem.ncbi.nlm.nih.gov/compound/99501	enrich_references.pubchem_compound
Wikidata	https://www.wikidata.org/wiki/Q72434499	enrich_references.pubchem_identifier_url

Flow	Context	Source	Unit	CFs
d4aa6dea-b110-4220-aff3-48b9ddcf8357	Environmental → Air → Aircraft cruise height	EF 3.1	kg	4
4061bd0b-ae3a-4c63-90e9-44af80113250	Environmental → Air → Ground level → Urban (>1000 people/square mile)	EF 3.1	kg	4
5aba66ea-90ab-475f-8048-ff6ce7d08281	Environmental → Air → Indoor	EF 3.1	kg	4
20621dd5-7340-43b0-a6f9-8c995b21ef86	Environmental → Air → Long-term	EF 3.1	kg	0
de5d5faa-2625-4a48-ad4e-84863267f09e	Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile)	EF 3.1	kg	4
6483d3d2-030e-4a17-ba8a-cca3c3603c83	Environmental → Air → Unknown	EF 3.1	kg	4
387b2c88-ff04-4249-b3e9-5681f4fae1b7	Environmental → Ground → Agricultural	EF 3.1	kg	4
d7fc89c0-c569-48f2-b27f-195ecd4f26d1	Environmental → Ground → Non-agricultural	EF 3.1	kg	4
8c5ec449-027c-430a-bf6c-c69d4c826ed1	Environmental → Ground → Unknown	EF 3.1	kg	4
e90ca445-cd1b-4881-b082-7f3630dde533	Environmental → Water → Long-term	EF 3.1	kg	0
5867eafb-c979-4a95-a6b3-ed3338faef6d	Environmental → Water → Ocean	EF 3.1	kg	4
d64dfca2-ab73-48f6-8be9-cb82a41011b0	Environmental → Water → Surface water	EF 3.1	kg	4
f67790d3-635c-4511-bb42-f63aaf0578ab	Environmental → Water → Unknown	EF 3.1	kg	4

Everything that changed this substance (55 changes)

Open the changes page

Flow object JSON

{
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3-acetamido-5-amino-4-hydroxybenzenesulfonic Acid

Identity

Structure

Alternative labels

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