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Template:Infobox drug/testcases5

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/sandbox:
{{Drugbox}} · e
{{title}} · e · src
{{licence}} · e · src
{{legal}} · e · src
{{pregcat}} · e · src
{{molarmass}} · e · src
{{mab source}} · e · src
{{localINNvar}} · e · src
{{maint cat}} · e · src
{{fmtATC}} · e · src

/format ·

Infobox drug/sandbox (edit · t · history · diff · links · /test · Source · e · t · hist · links · /subpages · /doc · /doc edit)

/testcases2 -- titles, licence, EMA
/testcases3 -- pregcat, legal, licence, PLLR, ATC; Wikidata
/testcases4 -- chem formula, mab
/testcases5 -- identifiers, second id's
/testcases6 -- all up
/testcases7images -- images
/testcases8 -- type, titles
/testcases9 -- order variants, container_only
/testcases10 -- pharmacokinetic, localINN (2017) has (data page) -- is a redirect
/testcases11 -- hormone, gene therapy (2018), has (data page)
/testcases-FDA -- FDA 2023
/testcases-warning -- warning box(es)

Drugbank

[edit]
URl change 2021-01-27
Infobox drug/formatDrugBank/sandbox (edit · t · history · diff · links · /test · Source · e · t · hist · links · /subpages · /doc · /doc edit)
DrugBank/sandbox (edit · t · history · diff · links · /test · Source · e · t · hist · links · /subpages · /doc · /doc edit)

UNII

[edit]
Dec 2020: talk [1]

Aspirin R16CO5Y76E

{{Infobox drug/formatUNII}} (edit talk history links # /subpages /doc /doc edit /sbox /sbox diff /test)
R16CO5Y76E
sandbox
R16CO5Y76E

PDB ligand

[edit]
Oct 2020, Template_talk:Infobox_drug#PDB
Side by side comparison
{{Infobox drug}}{{Infobox drug/sandbox}}
Valganciclovir
Identifiers
CAS Number
PubChem CID
IUPHAR/BPS
DrugBank
ChemSpider
UNII
KEGG
ChEMBL
NIAID ChemDB
PDB ligand
Chemical and physical data
3D model (JSmol)
  • O=C(OCC(OCn1c2N\C(=N/C(=O)c2nc1)N)CO)[C@@H](N)C(C)C
  • InChI=1S/C14H22N6O5/c1-7(2)9(15)13(23)24-4-8(3-21)25-6-20-5-17-10-11(20)18-14(16)19-12(10)22/h5,7-9,21H,3-4,6,15H2,1-2H3,(H3,16,18,19,22)/t8?,9-/m0/s1
  • Key:WPVFJKSGQUFQAP-GKAPJAKFSA-N
Valganciclovir
Identifiers
CAS Number
PubChem CID
IUPHAR/BPS
DrugBank
ChemSpider
UNII
KEGG
ChEMBL
NIAID ChemDB
PDB ligand
Chemical and physical data
3D model (JSmol)
  • O=C(OCC(OCn1c2N\C(=N/C(=O)c2nc1)N)CO)[C@@H](N)C(C)C
  • InChI=1S/C14H22N6O5/c1-7(2)9(15)13(23)24-4-8(3-21)25-6-20-5-17-10-11(20)18-14(16)19-12(10)22/h5,7-9,21H,3-4,6,15H2,1-2H3,(H3,16,18,19,22)/t8?,9-/m0/s1
  • Key:WPVFJKSGQUFQAP-GKAPJAKFSA-N

KEGG

[edit]
Side by side comparison
{{Infobox drug}}{{Infobox drug/sandbox}}
ID's
Clinical data
ATC code
Identifiers
CAS Number
PubChem CID
PubChem SID
ChemSpider
UNII
KEGG
ChEBI
ChEMBL
NIAID ChemDB
PDB ligand
Chemical and physical data
3D model (JSmol)
  • O=C1O[C@@H](CNC(=O)C)CN1c3cc(F)c(N2CCOCC2)cc3
  • InChI=1S/C16H20FN3O4/c1-11(21)18-9-13-10-20(16(22)24-13)12-2-3-15(14(17)8-12)19-4-6-23-7-5-19/h2-3,8,13H,4-7,9-10H2,1H3,(H,18,21)/t13-/m0/s1 checkY
  • Key:TYZROVQLWOKYKF-ZDUSSCGKSA-N checkY
 ☒NcheckY (what is this?)  (verify)
ID's
Clinical data
ATC code
Identifiers
CAS Number
PubChem CID
PubChem SID
ChemSpider
UNII
KEGG
ChEBI
ChEMBL
NIAID ChemDB
PDB ligand
Chemical and physical data
3D model (JSmol)
  • O=C1O[C@@H](CNC(=O)C)CN1c3cc(F)c(N2CCOCC2)cc3
  • InChI=1S/C16H20FN3O4/c1-11(21)18-9-13-10-20(16(22)24-13)12-2-3-15(14(17)8-12)19-4-6-23-7-5-19/h2-3,8,13H,4-7,9-10H2,1H3,(H,18,21)/t13-/m0/s1 checkY
  • Key:TYZROVQLWOKYKF-ZDUSSCGKSA-N checkY
 ☒NcheckY (what is this?)  (verify)

Test 1

[edit]
Side by side comparison
{{Infobox drug}}{{Infobox drug/sandbox}}
ID's
Clinical data
ATC code
Identifiers
CAS Number
PubChem CID
PubChem SID
DrugBank
ChemSpider
UNII
KEGG
ChEBI
ChEMBL
NIAID ChemDB
PDB ligand
Chemical and physical data
3D model (JSmol)
  • O=C1O[C@@H](CNC(=O)C)CN1c3cc(F)c(N2CCOCC2)cc3
  • InChI=1S/C16H20FN3O4/c1-11(21)18-9-13-10-20(16(22)24-13)12-2-3-15(14(17)8-12)19-4-6-23-7-5-19/h2-3,8,13H,4-7,9-10H2,1H3,(H,18,21)/t13-/m0/s1 checkY
  • Key:TYZROVQLWOKYKF-ZDUSSCGKSA-N checkY
 ☒NcheckY (what is this?)  (verify)
ID's
Clinical data
ATC code
Identifiers
CAS Number
PubChem CID
PubChem SID
DrugBank
ChemSpider
UNII
KEGG
ChEBI
ChEMBL
NIAID ChemDB
PDB ligand
Chemical and physical data
3D model (JSmol)
  • O=C1O[C@@H](CNC(=O)C)CN1c3cc(F)c(N2CCOCC2)cc3
  • InChI=1S/C16H20FN3O4/c1-11(21)18-9-13-10-20(16(22)24-13)12-2-3-15(14(17)8-12)19-4-6-23-7-5-19/h2-3,8,13H,4-7,9-10H2,1H3,(H,18,21)/t13-/m0/s1 checkY
  • Key:TYZROVQLWOKYKF-ZDUSSCGKSA-N checkY
 ☒NcheckY (what is this?)  (verify)

id's indexed <blank>,2 with index 0, 2

[edit]

Purge

Side by side comparison
{{Infobox drug}}{{Infobox drug/sandbox}}
ID's with index2_label
Clinical data
ATC code
Identifiers
  • ix0: Some general note about index_label
  • ix2: Some general note about index2_label
CAS Number
PubChem CID
PubChem SID
IUPHAR/BPS
DrugBank
ChemSpider
UNII
KEGG
ChEBI
ChEMBL
NIAID ChemDB
PDB ligand
Chemical and physical data
3D model (JSmol)
  • ix0: O=C1O[C@@H](CNC(=O)C)CN1c3cc(F)c(N2CCOCC2)cc3

  • ix2: O=C22[C@@H](CNC(=O)C)CN1c3cc(F)c(N2CCOCC2)cc2
  • ix0: InChI=1S/C16H20FN3O4/c1-11(21)18-9-13-10-20(16(22)24-13)12-2-3-15(14(17)8-12)19-4-6-23-7-5-19/h2-3,8,13H,4-7,9-10H2,1H3,(H,18,21)/t13-/m0/s1 checkY
  • Key:TYZROVQLWOKYKF-ZDUSSCGKSA-N checkY

  • ix2: InChI=1S/22C16H20FN3O4/c1-11(21)18-9-13-10-20(16(22)24-13)12-2-3-15(14(17)8-12)19-4-6-23-7-5-19/h2-3,8,13H,4-7,9-10H2,1H3,(H,18,21)/t13-/m0/s2
  • Key:22ZROVQLWOKYKF-ZDUSSCGKSA-2
ID's with index2_label
Clinical data
ATC code
Identifiers
  • ix0: Some general note about index_label
  • ix2: Some general note about index2_label
CAS Number
PubChem CID
PubChem SID
IUPHAR/BPS
DrugBank
ChemSpider
UNII
KEGG
ChEBI
ChEMBL
NIAID ChemDB
PDB ligand
Chemical and physical data
3D model (JSmol)
  • ix0: O=C1O[C@@H](CNC(=O)C)CN1c3cc(F)c(N2CCOCC2)cc3

  • ix2: O=C22[C@@H](CNC(=O)C)CN1c3cc(F)c(N2CCOCC2)cc2
  • ix0: InChI=1S/C16H20FN3O4/c1-11(21)18-9-13-10-20(16(22)24-13)12-2-3-15(14(17)8-12)19-4-6-23-7-5-19/h2-3,8,13H,4-7,9-10H2,1H3,(H,18,21)/t13-/m0/s1 checkY
  • Key:TYZROVQLWOKYKF-ZDUSSCGKSA-N checkY

  • ix2: InChI=1S/22C16H20FN3O4/c1-11(21)18-9-13-10-20(16(22)24-13)12-2-3-15(14(17)8-12)19-4-6-23-7-5-19/h2-3,8,13H,4-7,9-10H2,1H3,(H,18,21)/t13-/m0/s2
  • Key:22ZROVQLWOKYKF-ZDUSSCGKSA-2

index-2

[edit]

Purge

Side by side comparison
{{Infobox drug}}{{Infobox drug/sandbox}}
ID's with index2_label
Clinical data
ATC code
Identifiers
CAS Number
PubChem CID
PubChem SID
IUPHAR/BPS
DrugBank
ChemSpider
UNII
KEGG
ChEBI
ChEMBL
NIAID ChemDB
PDB ligand
Chemical and physical data
3D model (JSmol)
  • O=C1O[C@@H](CNC(=O)C)CN1c3cc(F)c(N2CCOCC2)cc3

  • O=C22[C@@H](CNC(=O)C)CN1c3cc(F)c(N2CCOCC2)cc2
  • InChI=1S/C16H20FN3O4/c1-11(21)18-9-13-10-20(16(22)24-13)12-2-3-15(14(17)8-12)19-4-6-23-7-5-19/h2-3,8,13H,4-7,9-10H2,1H3,(H,18,21)/t13-/m0/s1 checkY
  • Key:TYZROVQLWOKYKF-ZDUSSCGKSA-N checkY

  • InChI=1S/22C16H20FN3O4/c1-11(21)18-9-13-10-20(16(22)24-13)12-2-3-15(14(17)8-12)19-4-6-23-7-5-19/h2-3,8,13H,4-7,9-10H2,1H3,(H,18,21)/t13-/m0/s2
  • Key:22ZROVQLWOKYKF-ZDUSSCGKSA-2
ID's with index2_label
Clinical data
ATC code
Identifiers
CAS Number
PubChem CID
PubChem SID
IUPHAR/BPS
DrugBank
ChemSpider
UNII
KEGG
ChEBI
ChEMBL
NIAID ChemDB
PDB ligand
Chemical and physical data
3D model (JSmol)
  • O=C1O[C@@H](CNC(=O)C)CN1c3cc(F)c(N2CCOCC2)cc3

  • O=C22[C@@H](CNC(=O)C)CN1c3cc(F)c(N2CCOCC2)cc2
  • InChI=1S/C16H20FN3O4/c1-11(21)18-9-13-10-20(16(22)24-13)12-2-3-15(14(17)8-12)19-4-6-23-7-5-19/h2-3,8,13H,4-7,9-10H2,1H3,(H,18,21)/t13-/m0/s1 checkY
  • Key:TYZROVQLWOKYKF-ZDUSSCGKSA-N checkY

  • InChI=1S/22C16H20FN3O4/c1-11(21)18-9-13-10-20(16(22)24-13)12-2-3-15(14(17)8-12)19-4-6-23-7-5-19/h2-3,8,13H,4-7,9-10H2,1H3,(H,18,21)/t13-/m0/s2
  • Key:22ZROVQLWOKYKF-ZDUSSCGKSA-2

index-2 only

[edit]

Purge

Side by side comparison
{{Infobox drug}}{{Infobox drug/sandbox}}
ID's with index2_label
Clinical data
ATC code
Identifiers
CAS Number
PubChem CID
IUPHAR/BPS
DrugBank
ChemSpider
UNII
KEGG
ChEBI
ChEMBL
NIAID ChemDB
PDB ligand
Chemical and physical data
3D model (JSmol)
  • Indx2: O=C1O[C@@H](CNC(=O)C)CN1c3cc(F)c(N2CCOCC2)cc2
  • Indx2: InChI=1S/C16H20FN3O4/c1-11(21)18-9-13-10-20(16(22)24-13)12-2-3-15(14(17)8-12)19-4-6-23-7-5-19/h2-3,8,13H,4-7,9-10H2,1H3,(H,18,21)/t13-/m0/s2
  • Key:TYZROVQLWOKYKF-ZDUSSCGKSA-2
ID's with index2_label
Clinical data
ATC code
Identifiers
CAS Number
PubChem CID
IUPHAR/BPS
DrugBank
ChemSpider
UNII
KEGG
ChEBI
ChEMBL
NIAID ChemDB
PDB ligand
Chemical and physical data
3D model (JSmol)
  • Indx2: O=C1O[C@@H](CNC(=O)C)CN1c3cc(F)c(N2CCOCC2)cc2
  • Indx2: InChI=1S/C16H20FN3O4/c1-11(21)18-9-13-10-20(16(22)24-13)12-2-3-15(14(17)8-12)19-4-6-23-7-5-19/h2-3,8,13H,4-7,9-10H2,1H3,(H,18,21)/t13-/m0/s2
  • Key:TYZROVQLWOKYKF-ZDUSSCGKSA-2

Linalool

[edit]

Chembox

[edit]


|index_label=
|index1_label=(R)
|index2_label=(S)
|CASNo1_Comment = (R)
|PubChem1_Comment = (R)
|CASNo2_Comment = (S)
|PubChem2_Comment = (S)
Linalool (sandbox)
Identifiers
Linalool (live version)
Identifiers
(+/-)-linalool (Q410932), (+)-linalool (Q27105233), (-)-linalool (Q27105200)

Linalool by drugbox

[edit]
index1 (R): skipped/unused
Side by side comparison
{{Infobox drug}}{{Infobox drug/sandbox}}
Infobox drug/testcases5
Identifiers
CAS Number
PubChem CID
IUPHAR/BPS
Infobox drug/testcases5
Identifiers
CAS Number
PubChem CID
IUPHAR/BPS

Test 2

[edit]
SID and CID
Side by side comparison
{{Infobox drug}}{{Infobox drug/sandbox}}
ID's
Clinical data
ATC code
Identifiers
CAS Number
PubChem CID
PubChem SID
NIAID ChemDB
PDB ligand
 ☒NcheckY (what is this?)  (verify)
ID's
Clinical data
ATC code
Identifiers
CAS Number
PubChem CID
PubChem SID
NIAID ChemDB
PDB ligand
 ☒NcheckY (what is this?)  (verify)

data page

[edit]
|data_page= or exists, demo page = ???
Side by side comparison
{{Infobox drug}}{{Infobox drug/sandbox}}
data page
Identifiers
CAS Number
data page
Identifiers
CAS Number

CAS = none

[edit]
|CAS_number=none
Side by side comparison
{{Infobox drug}}{{Infobox drug/sandbox}}
regular cas
Identifiers
CAS Number
regular cas
Identifiers
CAS Number
Side by side comparison
{{Infobox drug}}{{Infobox drug/sandbox}}
cas none
Identifiers
CAS Number
  • None
cas none
Identifiers
CAS Number
  • None
Side by side comparison
{{Infobox drug}}{{Infobox drug/sandbox}}
cas none
Identifiers
CAS Number
  • None
  • None
cas none
Identifiers
CAS Number
  • None
  • None


Side by side comparison
{{Infobox drug}}{{Infobox drug/sandbox}}
cas blank
cas blank

PubChem = none

[edit]
|PubChem=none
Side by side comparison
{{Infobox drug}}{{Infobox drug/sandbox}}
regular pubchem
Identifiers
PubChem CID
regular pubchem
Identifiers
PubChem CID
Side by side comparison
{{Infobox drug}}{{Infobox drug/sandbox}}
pubchem none
Identifiers
PubChem CID
  • None
pubchem none
Identifiers
PubChem CID
  • None
Side by side comparison
{{Infobox drug}}{{Infobox drug/sandbox}}
pubchem2 none
Identifiers
PubChem CID
  • None
  • none
pubchem2 none
Identifiers
PubChem CID
  • None
  • none
Side by side comparison
{{Infobox drug}}{{Infobox drug/sandbox}}
pubchem blank
pubchem blank

ChemSpider = none

[edit]
|ChemSpiderID=none does cat, and show.
Side by side comparison
{{Infobox drug}}{{Infobox drug/sandbox}}
deprecated chemspider =NA
Identifiers
ChemSpider
deprecated chemspider =NA
Identifiers
ChemSpider


Side by side comparison
{{Infobox drug}}{{Infobox drug/sandbox}}
regular chemspider
Identifiers
ChemSpider
regular chemspider
Identifiers
ChemSpider
Side by side comparison
{{Infobox drug}}{{Infobox drug/sandbox}}
rgular 2
Identifiers
ChemSpider
rgular 2
Identifiers
ChemSpider
Side by side comparison
{{Infobox drug}}{{Infobox drug/sandbox}}
Chemspider none
Identifiers
ChemSpider
  • None
Chemspider none
Identifiers
ChemSpider
  • None
Side by side comparison
{{Infobox drug}}{{Infobox drug/sandbox}}
2 none
Identifiers
ChemSpider
  • ix0: None
  • ix2: 123
2 none
Identifiers
ChemSpider
  • ix0: None
  • ix2: 123
Side by side comparison
{{Infobox drug}}{{Infobox drug/sandbox}}
2 none
Identifiers
ChemSpider
  • ix0: None
  • ix2: none
2 none
Identifiers
ChemSpider
  • ix0: None
  • ix2: none
Side by side comparison
{{Infobox drug}}{{Infobox drug/sandbox}}
chemspider blank
chemspider blank

link title

Jmol

[edit]

1. By default, the Jmol external link is fed with the |SMILES= input. So |Jmol= does not need input.

2. When |Jmol=none, the Jmol data row is suppressed (not shown).

3. When |Jmol=<some SMILES string>, Jmol links will show that string in 3D, no matter what |SMILES= is. (SMILES output itself is unchanged).

Side by side comparison
{{Infobox drug}}{{Infobox drug/sandbox}}
1.Jmol by smiles (default)
Chemical and physical data
3D model (JSmol)
  • O=C1O[C@@H](CNC(=O)C)CN1c3cc(F)c(N2CCOCC2)cc3
1.Jmol by smiles (default)
Chemical and physical data
3D model (JSmol)
  • O=C1O[C@@H](CNC(=O)C)CN1c3cc(F)c(N2CCOCC2)cc3
Side by side comparison
{{Infobox drug}}{{Infobox drug/sandbox}}
2.Jmol=none
Chemical and physical data
  • O=C1O[C@@H](CNC(=O)C)CN1c3cc(F)c(N2CCOCC2)cc3
2.Jmol=none
Chemical and physical data
  • O=C1O[C@@H](CNC(=O)C)CN1c3cc(F)c(N2CCOCC2)cc3
Side by side comparison
{{Infobox drug}}{{Infobox drug/sandbox}}
3.Jmol=DDT (overwrites SMILES)
Chemical and physical data
3D model (JSmol)
  • O=C1O[C@@H](CNC(=O)C)CN1c3cc(F)c(N2CCOCC2)cc3
3.Jmol=DDT (overwrites SMILES)
Chemical and physical data
3D model (JSmol)
  • O=C1O[C@@H](CNC(=O)C)CN1c3cc(F)c(N2CCOCC2)cc3
Side by side comparison
{{Infobox drug}}{{Infobox drug/sandbox}}
4.Jmol only
Chemical and physical data
3D model (JSmol)
4.Jmol only
Chemical and physical data
3D model (JSmol)

Jmol (secondary tests)

[edit]
Side by side comparison
{{Infobox drug}}{{Infobox drug/sandbox}}
no input
no input
Side by side comparison
{{Infobox drug}}{{Infobox drug/sandbox}}
Jmol=None
Chemical and physical data
  • O=C1O[C@@H](CNC(=O)C)CN1c3cc(F)c(N2CCOCC2)cc3
Jmol=None
Chemical and physical data
  • O=C1O[C@@H](CNC(=O)C)CN1c3cc(F)c(N2CCOCC2)cc3
Side by side comparison
{{Infobox drug}}{{Infobox drug/sandbox}}
SMILES2 input
Chemical and physical data
3D model (JSmol)
  • O=C1O[C@@H](CNC(=O)C)CN1c3cc(F)c(N2CCOCC2)cc3
SMILES2 input
Chemical and physical data
3D model (JSmol)
  • O=C1O[C@@H](CNC(=O)C)CN1c3cc(F)c(N2CCOCC2)cc3