Secobarbital Sodium

(RS)-Secobarbital sodium
2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-(1-methylbutyl)-5-(2-propen-1-yl)-, sodium salt (1:1)
2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-(1-methylbutyl)-5-(2-propenyl)-, monosodium salt
5-Allyl-5-(1-methylbutyl)barbituric acid sodium salt
5-Allyl-5-(1-methylbutyl)malonylurea sodium salt
Barbituric acid, 5-allyl-5-(1-methylbutyl)-, sodium salt
Barbosec
Bipinal sodium
Evronal Sodium
Imesonal
Immenoctal
Ional sodium
Meballymal sodium
Pramil
Quinalbarbitone sodium
Quinalspan
Sebar
secobarbitone sodium
Seconal sodium
Sedutain
Seotal
Seotalnatrium
sodium 2,4,6-trioxo-5-(pentan-2-yl)-5-(prop-2-en-1-yl)tetrahydro-2H-pyrimidin-1-ide
sodium 5-allyl-5-(1-methylbutyl)barbiturate
Sodium quinalbarbitone
sodium secobarbital
Sodium Seconal
Synate

Property	Value
InChI2D key string chemrof:inchi2d_key_string	APVPNHUAMOGOKN-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string	InChI=1S/C12H18N2O3.Na/c1-4-6-8(3)12(7-5-2)9(15)13-11(17)14-10(12)16;/h5,8H,2,4,6-7H2,1,3H3,(H2,13,14,15,16,17);
IUPAC name chemrof:IUPAC_name	sodium 5-allyl-5-(1-methylbutyl)barbiturate
Molecular formula chemrof:molecular_formula	C12H18N2NaO3
Molecular mass chemrof:molecular_mass	261.277
Monoisotopic mass chemrof:monoisotopic_mass	261.121512
SMILES string chemrof:smiles_string	C=CCC1(C(C)CCC)C(=O)NC(=O)NC1=O.[Na]

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=309-43-3	enrich_references.chebi_xrefs
ChEBI	https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:32124	enrich_references.chebi_id_link
DrugBank	https://go.drugbank.com/drugs/DB00418	enrich_references.chebi_xrefs
KEGG	https://www.genome.jp/entry/D01310	enrich_references.chebi_xrefs
reaxys	reaxys:5369275	enrich_references.chebi_xrefs

Flow	Context	Source	Unit	CFs
e301762d-f024-45fd-8be2-2e533bf85a10	Environmental → Air → Aircraft cruise height	EF 3.1	kg	2
0f8ca851-abbc-40e8-955a-9585a4b1c3a2	Environmental → Air → Ground level → Urban (>1000 people/square mile)	EF 3.1	kg	2
5988b8f2-a0d1-4d93-8196-2a721ccf7404	Environmental → Air → Indoor	EF 3.1	kg	2
fc1a83a2-088a-42f9-b9c8-0db803063318	Environmental → Air → Long-term	EF 3.1	kg	0
9d6b6660-78a8-45b5-903c-6383e8e39546	Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile)	EF 3.1	kg	2
81d5d3dc-d892-4af0-b509-d645ef4322f1	Environmental → Air → Unknown	EF 3.1	kg	2
04951b57-a0aa-480a-9286-d36c14541d64	Environmental → Ground → Agricultural	EF 3.1	kg	2
5c45640b-cbfd-416d-a1e4-27ea2ffa2fdb	Environmental → Ground → Non-agricultural	EF 3.1	kg	2
638677d5-f128-43e7-b7ad-910531a870c9	Environmental → Ground → Unknown	EF 3.1	kg	2
32d52db2-86c9-46b7-96ed-49faad8e527c	Environmental → Water → Long-term	EF 3.1	kg	0
8302a94c-7a94-4ec5-9717-d1a6b30dc09c	Environmental → Water → Ocean	EF 3.1	kg	2
32fbf563-ffe7-4dbd-a713-08bfcda5a569	Environmental → Water → Surface water	EF 3.1	kg	2
5529fc12-c992-424d-a84e-1b736f797f67	Environmental → Water → Unknown	EF 3.1	kg	2

Everything that changed this substance (55 changes)

Open the changes page

Flow object JSON

{
  "flow_object_id": "fo-bfe4c1840c9dca73",
  "prefLabel": [
    {
      "@value": "Secobarbital Sodium",
      "@language": "en",
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  "altLabel": [
    {
      "@value": "(RS)-Secobarbital sodium",
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      }
    },
    {
      "@value": "2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-(1-methylbutyl)-5-(2-propen-1-yl)-, sodium salt (1:1)",
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      "@lang": "en",
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    },
    {
      "@value": "2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-(1-methylbutyl)-5-(2-propenyl)-, monosodium salt",
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    },
    {
      "@value": "5-Allyl-5-(1-methylbutyl)barbituric acid sodium salt",
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    },
    {
      "@value": "5-Allyl-5-(1-methylbutyl)malonylurea sodium salt",
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    {
      "@value": "Barbituric acid, 5-allyl-5-(1-methylbutyl)-, sodium salt",
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    },
    {
      "@value": "Barbosec",
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    },
    {
      "@value": "Bipinal sodium",
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    },
    {
      "@value": "Evronal Sodium",
      "@language": "en",
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    },
    {
      "@value": "Imesonal",
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      "@value": "Immenoctal",
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    },
    {
      "@value": "Ional sodium",
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    {
      "@value": "Meballymal sodium",
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    },
    {
      "@value": "Pramil",
      "@language": "en",
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
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    },
    {
      "@value": "Quinalbarbitone sodium",
      "@language": "en",
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    },
    {
      "@value": "Quinalspan",
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    },
    {
      "@value": "Sebar",
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "secobarbitone sodium",
      "@language": "en",
      "@lang": "en",
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    },
    {
      "@value": "Seconal sodium",
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    },
    {
      "@value": "Sedutain",
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    },
    {
      "@value": "Seotal",
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    {
      "@value": "Seotalnatrium",
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    },
    {
      "@value": "sodium 2,4,6-trioxo-5-(pentan-2-yl)-5-(prop-2-en-1-yl)tetrahydro-2H-pyrimidin-1-ide",
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      "@lang": "en",
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        "prov:wasDerivedFrom": "chebi synonym match"
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    },
    {
      "@value": "sodium 5-allyl-5-(1-methylbutyl)barbiturate",
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    },
    {
      "@value": "Sodium quinalbarbitone",
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    },
    {
      "@value": "sodium secobarbital",
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    },
    {
      "@value": "Sodium Seconal",
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    },
    {
      "@value": "Synate",
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  ],
  "properties": {
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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

Secobarbital Sodium

Identity

Structure

Alternative labels

Properties

Known URLs

Elementary flows

History

Full record

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