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Revision as of 11:02, 17 November 2011 editBeetstra (talk \| contribs)Edit filter managers, Administrators172,084 edits Saving copy of the {{drugbox}} taken from revid 447613200 of page Encainide for the Chem/Drugbox validation project (updated: 'DrugBank').← Previous edit		Revision as of 11:03, 17 November 2011 edit undoBeetstra (talk \| contribs)Edit filter managers, Administrators172,084 edits Saving copy of the {{chembox}} taken from revid 443835418 of page Endomorphin for the Chem/Drugbox validation project (updated: 'ChemSpiderID', 'ChEMBL', 'CASNo').Next edit →
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	{{ambox \| text = This page contains a copy of the infobox ({{tl\|~~drugbox~~}}) taken from revid of page ] with values updated to verified values.}}		{{ambox \| text = This page contains a copy of the infobox ({{tl\|chembox}}) taken from revid of page ] with values updated to verified values.}}
	{{~~Drugbox~~		{{Chembox
			\| Name = Endomorphins
	\| verifiedrevid = 443722856
			\| ImageFile1 = Endomorphin 1.svg
	\| IUPAC_name = 4-methoxy-''N''-benzamide
			\| ImageSize1 = 200px
	\| image = Encainide.svg
			\| ImageCaption1 = Endomorphin-1

			\| ImageFile2 = Endomorphin 2.svg
	<!--Clinical data-->
	\| ~~tradename~~ =		\| ImageSize2 = 200px
			\| ImageCaption2 = Endomorphin-2
	\| Drugs.com = {{drugs.com\|CONS\|encainide}}
			\| IUPACName = <small>L</small>-Tyrosyl-<small>L</small>-prolyl-<small>L</small>-tryptophyl-<small>L</small>-phenylalaninamide (Endmorphin-1)<br><small>L</small>-Tyrosyl-<small>L</small>-prolyl-<small>L</small>-phenylalanyl-<small>L</small>-phenylalaninamide (Endmorphin-2)
	\| MedlinePlus = a605040
			\| OtherNames =
	\| pregnancy_AU = <!-- A / B1 / B2 / B3 / C / D / X -->
			\| Section1 = {{Chembox Identifiers
	\| pregnancy_US = <!-- A / B / C / D / X -->
			\| CASNo = <!-- blanked - oldvalue: 189388-22-5 -->
	\| pregnancy_category =
			\| CASNo_Comment = (Endomorphin-1)
	\| legal_AU = <!-- Unscheduled / S2 / S4 / S8 -->
		⚫	\| CASNo_Ref = {{cascite\|correct\|CAS}}
	\| legal_UK = <!-- GSL / P / POM / CD -->
			\| CASNo1 = 141801-26-5
	\| legal_US = <!-- OTC / Rx-only -->
			\| CASNo1_Comment = (Endomorphin-2)
	\| legal_status =
		⚫	\| CASNo1_Ref = {{cascite\|correct\|CAS}}
	\| routes_of_administration =
			\| ChEMBL = <!-- blanked - oldvalue: 333357 -->

		⚫	\| PubChem = 5311080
	<!--Pharmacokinetic data-->
			\| PubChem_Comment = (Endomorphin-1)
	\| bioavailability =
			\| PubChem1 = 5311081
	\| protein_bound =
			\| PubChem1_Comment = (Endomorphin-2)
	\| metabolism =
		⚫	\| ChemSpiderID = 11570217
	\| elimination_half-life =
			\| ChemSpiderID_Comment = (Endomorphin-1)
	\| excretion =
			\| ChemSpiderID1 = 4470615

			\| ChemSpiderID1_Comment = (Endomorphin-2)
	<!--Identifiers-->
			\| SMILES = O=C(N)(NC(=O)(NC(=O)2N(C(=O)(N)Cc1ccc(O)cc1)CCC2)Cc4c3ccccc3nc4)Cc5ccccc5
	\| CAS_number = 66778-36-7
			\| SMILES_Comment = (Endomorphin-1)
	\| ATC_prefix = C01
			\| SMILES1 = O=C(N(C(=O)N(C(=O)N)Cc1ccccc1)Cc2ccccc2)4N(C(=O)(N)Cc3ccc(O)cc3)CCC4
	\| ATC_suffix = BC08
			\| SMILES1_Comment = (Endomorphin-2)
	\| ATC_supplemental =
			\| InChI = 1S/C34H38N6O5/c35-26(17-22-12-14-24(41)15-13-22)34(45)40-16-6-11-30(40)33(44)39-29(19-23-20-37-27-10-5-4-9-25(23)27)32(43)38-28(31(36)42)18-21-7-2-1-3-8-21/h1-5,7-10,12-15,20,26,28-30,37,41H,6,11,16-19,35H2,(H2,36,42)(H,38,43)(H,39,44)/t26-,28-,29-,30-/m0/s1
⚫	\| PubChem = ~~48041~~
			\| InChI_Comment = (Endomorphin-1)
	\| DrugBank_Ref = {{drugbankcite\|correct\|drugbank}}
			\| InChI1 = 1S/C32H37N5O5/c33-25(18-23-13-15-24(38)16-14-23)32(42)37-17-7-12-28(37)31(41)36-27(20-22-10-5-2-6-11-22)30(40)35-26(29(34)39)19-21-8-3-1-4-9-21/h1-6,8-11,13-16,25-28,38H,7,12,17-20,33H2,(H2,34,39)(H,35,40)(H,36,41)/t25-,26-,27-,28-/m0/s1
	\| DrugBank = DB01228
			\| InChI1_Comment = (Endomorphin-2)
	\| ChemSpiderID_Ref = {{chemspidercite\|correct\|chemspider}}
			\| StdInChI = 1S/C32H37N5O5/c33-25(18-23-13-15-24(38)16-14-23)32(42)37-17-7-12-28(37)31(41)36-27(20-22-10-5-2-6-11-22)30(40)35-26(29(34)39)19-21-8-3-1-4-9-21/h1-6,8-11,13-16,25-28,38H,7,12,17-20,33H2,(H2,34,39)(H,35,40)(H,36,41)
⚫	\| ChemSpiderID = ~~43697~~
		⚫	\| StdInChIKey = XIJHWXXXIMEHKW-UHFFFAOYSA-N
⚫	\| ~~UNII_Ref~~ = {{~~fdacite~~\|correct\|~~FDA~~}}
			}}
	\| UNII = SY3J0147NB
			\| Section2 = {{Chembox Properties
	\| KEGG_Ref = {{keggcite\|correct\|kegg}}
			\| Formula = C<sub>34</sub>H<sub>38</sub>N<sub>6</sub>O<sub>5</sub> (Endmorphin-1)<br>C<sub>32</sub>H<sub>37</sub>N<sub>5</sub>O<sub>5</sub> (Endomorphin-2)
	\| KEGG = D07894
			\| MolarMass = 610.703 g/mol (Endomorphin-1)<br>571.667 g/mol (Endomorphin-2)
⚫	\| ~~ChEBI_Ref~~ = {{~~ebicite~~\|correct\|~~EBI~~}}
	\| ~~ChEBI~~ = ~~4788~~		\| Appearance =
			\| Density =

			\| MeltingPt =
	<!--Chemical data-->
			\| BoilingPt =
	\| C=22 \| H=28 \| N=2 \| O=2
			\| Solubility =
	\| molecular_weight = 352.47 g/mol
			}}
	\| smiles = CC(CN1CCCCC1)c3ccccc3NC(=O)c2ccc(OC)cc2
			\| Section3 = {{Chembox Hazards
	\| InChI = 1/C22H28N2O2/c1-24-16-6-5-8-19(24)13-10-17-7-3-4-9-21(17)23-22(25)18-11-14-20(26-2)15-12-18/h3-4,7,9,11-12,14-15,19H,5-6,8,10,13,16H2,1-2H3,(H,23,25)
			\| MainHazards =
	\| InChIKey = PJWPNDMDCLXCOM-UHFFFAOYAR
			\| FlashPt =
	\| StdInChI_Ref = {{stdinchicite\|correct\|chemspider}}
			\| Autoignition =
	\| StdInChI = 1S/C22H28N2O2/c1-24-16-6-5-8-19(24)13-10-17-7-3-4-9-21(17)23-22(25)18-11-14-20(26-2)15-12-18/h3-4,7,9,11-12,14-15,19H,5-6,8,10,13,16H2,1-2H3,(H,23,25)
			}}
	\| StdInChIKey_Ref = {{stdinchicite\|correct\|chemspider}}
⚫	\| StdInChIKey = ~~PJWPNDMDCLXCOM~~-UHFFFAOYSA-N
	}}		}}

Revision as of 11:03, 17 November 2011

This page contains a copy of the infobox ({{chembox}}) taken from revid 443835418 of page Endomorphin with values updated to verified values.

Endomorphins
Names
Endomorphin-1
Endomorphin-2
IUPAC names L-Tyrosyl-L-prolyl-L-tryptophyl-L-phenylalaninamide (Endmorphin-1) L-Tyrosyl-L-prolyl-L-phenylalanyl-L-phenylalaninamide (Endmorphin-2)
Identifiers
CAS Number	141801-26-5 (Endomorphin-2)
3D model (JSmol)	(Endomorphin-1): Interactive image (Endomorphin-2): Interactive image
ChemSpider	11570217 (Endomorphin-1) 4470615 (Endomorphin-2)
PubChem CID	5311080 (Endomorphin-1) 5311081 (Endomorphin-2)
InChI InChI=1S/C32H37N5O5/c33-25(18-23-13-15-24(38)16-14-23)32(42)37-17-7-12-28(37)31(41)36-27(20-22-10-5-2-6-11-22)30(40)35-26(29(34)39)19-21-8-3-1-4-9-21/h1-6,8-11,13-16,25-28,38H,7,12,17-20,33H2,(H2,34,39)(H,35,40)(H,36,41)Key: XIJHWXXXIMEHKW-UHFFFAOYSA-N (Endomorphin-1): InChI=1S/C34H38N6O5/c35-26(17-22-12-14-24(41)15-13-22)34(45)40-16-6-11-30(40)33(44)39-29(19-23-20-37-27-10-5-4-9-25(23)27)32(43)38-28(31(36)42)18-21-7-2-1-3-8-21/h1-5,7-10,12-15,20,26,28-30,37,41H,6,11,16-19,35H2,(H2,36,42)(H,38,43)(H,39,44)/t26-,28-,29-,30-/m0/s1 (Endomorphin-2): InChI=1S/C32H37N5O5/c33-25(18-23-13-15-24(38)16-14-23)32(42)37-17-7-12-28(37)31(41)36-27(20-22-10-5-2-6-11-22)30(40)35-26(29(34)39)19-21-8-3-1-4-9-21/h1-6,8-11,13-16,25-28,38H,7,12,17-20,33H2,(H2,34,39)(H,35,40)(H,36,41)/t25-,26-,27-,28-/m0/s1
SMILES (Endomorphin-1): O=C(N)(NC(=O)(NC(=O)2N(C(=O)(N)Cc1ccc(O)cc1)CCC2)Cc4c3ccccc3nc4)Cc5ccccc5 (Endomorphin-2): O=C(N(C(=O)N(C(=O)N)Cc1ccccc1)Cc2ccccc2)4N(C(=O)(N)Cc3ccc(O)cc3)CCC4
Properties
Chemical formula	C₃₄H₃₈N₆O₅ (Endmorphin-1) C₃₂H₃₇N₅O₅ (Endomorphin-2)
Molar mass	610.703 g/mol (Endomorphin-1) 571.667 g/mol (Endomorphin-2)
Except where otherwise noted, data are given for materials in their standard state (at 25 °C , 100 kPa). Infobox references

Tracking categories (test):

SizeSet

Chemical compound