Nitroglycerin
fo-ce2755fcdada2755
Identity
- Type
- Neutral molecule
- CAS
- 55-63-0
- EC
- 200-240-8
- Origin
- EF 3.1 hybrid_name_cas_v1
- Changes
- 57 across every transformer
Structure
Alternative labels
117- 1,2,3-Propanetriol, 1,2,3-trinitrate
- 1,2,3-Propanetriol, trinitrate
- 1,2,3-propanetrioltrinitrate
- 1,2,3-propanetriyl nitrate
- 1,2,3-trinitrooxypropane
- Adesitrin
- Angibid
- Anginine
- Angiolingual
- Angorin
- Aquo-Trinitrosan
- Blasting oil
- Cardamist
- Chitamite
- Cordipatch
- Corditrine
- Coro-Nitro
- Deponit
- Deponit 10
- Diafusor
- Discotrine
- Dorocontin
- Epinitril
- Gilucor
- Gilucor nitro
- Glonoin
- glycerin trinitrate
- Glycerol nitric acid triester
- glycerol trinitrate
- glycerol, nitric acid triester
- Glyceryl nitrate
- Glyceryl trinitrate
- GTN
- GTN (explosive)
- Klavikordal
- Lenitral
- Lentonitrina
- MeSH ID: D005996
- Millisrol
- Minitran
- Minitran (nitroglycerin)
- Myoglycerin
- Myovin
- Natispray
- Niglin
- Niglycon
- Niong
- Nitora
- Nitrine-TDC
- Nitro Mack
- Nitro-Bid
- Nitro-Dur
- Nitro-Gesani
- Nitro-lent
- Nitro-PRN
- Nitro-Span
- Nitro-Time
- Nitrocardin
- Nitroderm
- Nitroderm TTS
- Nitrodisc
- Nitrofortin
- Nitrogard
- Nitroglin
- nitroglycerine
- nitroglycerol
- Nitroglyn
- Nitrol (pharmaceutical)
- Nitrol Ointment
- Nitrolan
- Nitrolande
- Nitrolar
- Nitroletten
- Nitrolingual
- Nitrolowe
- Nitromel
- Nitromist
- Nitrong
- Nitropercuten
- Nitropohl
- Nitrorectal
- Nitroretard
- Nitrosigma
- Nitrostabilin
- Nitrostat
- Nitrozell retard
- Nysconitrine
- Penobel 2
- Percutol
- Perglottal
- Perlinganit
- propane-1,2,3-triyl trinitrate
- Propanetriol trinitrate
- Rectogesic
- Reminitrol
- S.N.G.
- Solinitrina
- Susadrin
- Suscard
- Sustac
- Sutonit
- Temponitrin
- Transderm Nitro
- Transderm-Nitro
- Transderm-Nitro TTS
- Transiderm-Nitro
- Tridil
- Trinalgon
- Triniplas
- Trinitrin
- Trinitrine
- trinitroglycerin
- trinitroglycerol
- Trinitrol
- Trinitrosan
- Vasoglyn
- Vasolator
Properties
| Property | Value |
|---|---|
| Elemental charge chemrof:elemental_charge | 0 |
| InChI2D key string chemrof:inchi2d_key_string | SNIOPGDIGTZGOP-UHFFFAOYSA-N |
| InChI2D string chemrof:inchi2d_string | InChI=1S/C3H5N3O9/c7-4(8)13-1-3(15-6(11)12)2-14-5(9)10/h3H,1-2H2 |
| IUPAC name chemrof:IUPAC_name | Nitroglycerin |
| Molecular formula chemrof:molecular_formula | C3H5N3O9 |
| Molecular mass chemrof:molecular_mass | 227.085 |
| Monoisotopic mass chemrof:monoisotopic_mass | 227.002579, 227.00258 |
| SMILES string chemrof:smiles_string | O=[N+]([O-])OCC(CO[N+](=O)[O-])O[N+](=O)[O-] |
Known URLs
46Where 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=55-63-0 | enrich_references.chebi_xrefs |
| cdc.gov | https://www.cdc.gov/niosh-rtecs/QX200B20.html | enrich_references.pubchem_identifier_url |
| ChEBI | https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:28787 | enrich_references.chebi_id_link |
| chem.echa.europa.eu | https://chem.echa.europa.eu/100.000.219 | enrich_references.pubchem_identifier_url |
| chemicalsafety.ilo.org | https://chemicalsafety.ilo.org/dyn/icsc/showcard.display?p_card_id=0186 | enrich_references.pubchem_identifier_url |
| comptox.epa.gov | https://comptox.epa.gov/dashboard/DTXSID1021407 | enrich_references.pubchem_identifier_url |
| DrugBank | https://go.drugbank.com/drugs/DB00727 | enrich_references.chebi_xrefs |
| drugbank.ca | https://www.drugbank.ca/drugs/DB00727 | enrich_references.pubchem_identifier_url |
| drugcentral | drugcentral:1952 | enrich_references.chebi_xrefs |
| drugcentral.org | https://drugcentral.org/drugcard/1952 | enrich_references.pubchem_identifier_url |
| ebi.ac.uk | https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL730 | enrich_references.pubchem_identifier_url |
| gmelin | gmelin:165859 | enrich_references.chebi_xrefs |
| gsrs.ncats.nih.gov | https://gsrs.ncats.nih.gov/ginas/app/beta/substances/G59M7S0WS3 | enrich_references.pubchem_identifier_url |
| HMDB | https://hmdb.ca/metabolites/HMDB0014865 | enrich_references.pubchem_identifier_url |
| jglobal.jst.go.jp | http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J4.491A | enrich_references.pubchem_identifier_url |
| KEGG | https://www.genome.jp/entry/C07455 | enrich_references.chebi_xrefs |
| KEGG | https://www.genome.jp/entry/D00515 | enrich_references.chebi_xrefs |
| kegg.jp | https://www.kegg.jp/entry/C07455 | enrich_references.pubchem_identifier_url |
| kegg.jp | https://www.kegg.jp/entry/D00515 | enrich_references.pubchem_identifier_url |
| metabolomicsworkbench.org | https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=43033 | enrich_references.pubchem_identifier_url |
| ncithesaurus.nci.nih.gov | https://ncithesaurus.nci.nih.gov/ncitbrowser/ConceptReport.jsp?dictionary=NCI_Thesaurus&ns=ncit&code=C29294 | enrich_references.pubchem_identifier_url |
| pharmgkb.org | https://www.pharmgkb.org/chemical/PA450644 | enrich_references.pubchem_identifier_url |
| pharos.nih.gov | https://pharos.nih.gov/ligands/8JZKV6G7YNVM | enrich_references.pubchem_identifier_url |
| platform.opentargets.org | https://platform.opentargets.org/drug/CHEMBL730 | enrich_references.pubchem_identifier_url |
| PubChem | https://pubchem.ncbi.nlm.nih.gov/compound/4510 | enrich_references.pubchem_compound |
| PubChem | https://pubchem.ncbi.nlm.nih.gov/erg/#0143 | enrich_references.pubchem_identifier_url |
| PubChem | https://pubchem.ncbi.nlm.nih.gov/erg/#0144 | enrich_references.pubchem_identifier_url |
| PubChem | https://pubchem.ncbi.nlm.nih.gov/erg/#1204 | enrich_references.pubchem_identifier_url |
| PubChem | https://pubchem.ncbi.nlm.nih.gov/erg/#3064 | enrich_references.pubchem_identifier_url |
| PubChem | https://pubchem.ncbi.nlm.nih.gov/erg/#3357 | enrich_references.pubchem_identifier_url |
| PubChem | https://pubchem.ncbi.nlm.nih.gov/substance/?source=niaid&sourceid=551026 | enrich_references.pubchem_identifier_url |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/11016328 | enrich_references.chebi_xrefs |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/11470751 | enrich_references.chebi_xrefs |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/11943517 | enrich_references.chebi_xrefs |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/22040938 | enrich_references.chebi_xrefs |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/22675243 | enrich_references.chebi_xrefs |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/23205544 | enrich_references.chebi_xrefs |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/23301717 | enrich_references.chebi_xrefs |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/9492718 | enrich_references.chebi_xrefs |
| reaxys | reaxys:1802063 | enrich_references.chebi_xrefs |
| rxnav.nlm.nih.gov | https://rxnav.nlm.nih.gov/id/rxnorm/4917 | enrich_references.pubchem_identifier_url |
| umbbd.compound | umbbd.compound:c0061 | enrich_references.chebi_xrefs |
| Wikidata | https://www.wikidata.org/wiki/Q162867 | enrich_references.pubchem_identifier_url |
| Wikipedia | https://en.wikipedia.org/wiki/Glyceryl_trinitrate_(pharmacology) | enrich_references.chebi_xrefs |
| Wikipedia | https://en.wikipedia.org/wiki/Nitroglycerin | enrich_references.chebi_xrefs |
| Wikipedia | https://en.wikipedia.org/wiki/Nitroglycerine | enrich_references.pubchem_identifier_url |
Elementary flows
14| Flow | Context | Source | Unit | CFs |
|---|---|---|---|---|
| d86c61d9-6555-11dd-ad8b-0800200c9a66 | Environmental → Air → Aircraft cruise height | EF 3.1 | kg | 6 |
| fe0acd60-3ddc-11dd-9feb-0050c2490048 | Environmental → Air → Ground level → Urban (>1000 people/square mile) | EF 3.1 | kg | 6 |
| 789217f4-7315-4c19-94c5-a1f54489f0ad | Environmental → Air → Indoor | EF 3.1 | kg | 6 |
| fe0acd60-3ddc-11dd-9fea-0050c2490048 | Environmental → Air → Long-term | EF 3.1 | kg | 0 |
| fe0acd60-3ddc-11dd-9fec-0050c2490048 | Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) | EF 3.1 | kg | 6 |
| fe0acd60-3ddc-11dd-9fe9-0050c2490048 | Environmental → Air → Unknown | EF 3.1 | kg | 6 |
| 08a91e70-3ddc-11dd-9deb-0050c2490048 | Environmental → Ground → Agricultural | EF 3.1 | kg | 6 |
| 08a91e70-3ddc-11dd-a2ae-0050c2490048 | Environmental → Ground → Non-agricultural | EF 3.1 | kg | 6 |
| 08a91e70-3ddc-11dd-9dec-0050c2490048 | Environmental → Ground → Unknown | EF 3.1 | kg | 6 |
| 08a91e70-3ddc-11dd-a2ac-0050c2490048 | Environmental → Water → Long-term | EF 3.1 | kg | 0 |
| 08a91e70-3ddc-11dd-a2af-0050c2490048 | Environmental → Water → Ocean | EF 3.1 | kg | 6 |
| 08a91e70-3ddc-11dd-a2ab-0050c2490048 | Environmental → Water → Surface water | EF 3.1 | kg | 6 |
| 8c715bba61c9265348b7867b49a7b27371d29324 | Environmental → Water → Unconfined aquifer | stepwise algorithm addition | kg | 0 |
| 08a91e70-3ddc-11dd-a2ad-0050c2490048 | Environmental → Water → Unknown | EF 3.1 | kg | 6 |
History
Everything that changed this substance (57 changes)
Full record
Flow object JSON
{
"flow_object_id": "fo-ce2755fcdada2755",
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{
"@value": "Nitroglycerin",
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{
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{
"@value": "Anginine",
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{
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{
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},
{
"@value": "Aquo-Trinitrosan",
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{
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{
"@value": "Cardamist",
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},
{
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},
{
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},
{
"@value": "Corditrine",
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},
{
"@value": "Coro-Nitro",
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"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Deponit",
"@language": "en",
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"provenance": {
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},
{
"@value": "Deponit 10",
"@language": "en",
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},
{
"@value": "Diafusor",
"@language": "en",
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"provenance": {
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],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Discotrine",
"@language": "en",
"@lang": "en",
"provenance": {
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],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Dorocontin",
"@language": "en",
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"provenance": {
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],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Epinitril",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
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],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Gilucor",
"@language": "en",
"@lang": "en",
"provenance": {
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"prov:hadPrimarySource": [
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"EF 3.1",
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],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Gilucor nitro",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
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"prov:hadPrimarySource": [
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],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Glonoin",
"@language": "en",
"@lang": "en",
"provenance": {
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],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "glycerin trinitrate",
"@language": "en",
"@lang": "en",
"provenance": {
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},
{
"@value": "Glycerol nitric acid triester",
"@language": "en",
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Something wrong here?
- This substance is published under the wrong name
- This is not that chemical
- This record is two substances, or it is a second copy of one
You do not need to run a build or clone anything. Name the record and say what your evidence is; the measurement is done for you. How contributing works