Misplaced Pages:WikiProject Chemicals/Chembox validation/VerifiedDataSandbox: Difference between revisions

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Revision as of 13:41, 15 February 2012 editBeetstra (talk \| contribs)Edit filter managers, Administrators172,081 edits Saving copy of the {{chembox}} taken from revid 475809828 of page Boron_triiodide for the Chem/Drugbox validation project (updated: 'CASNo').← Previous edit		Revision as of 13:41, 15 February 2012 edit undoBeetstra (talk \| contribs)Edit filter managers, Administrators172,081 edits Saving copy of the {{drugbox}} taken from revid 476539724 of page Vitamin_B12 for the Chem/Drugbox validation project (updated: 'StdInChI', 'StdInChIKey', 'DrugBank', 'ChEMBL').Next edit →
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	{{ambox \| text = This page contains a copy of the infobox ({{tl\|~~chembox~~}}) taken from revid of page ] with values updated to verified values.}}		{{ambox \| text = This page contains a copy of the infobox ({{tl\|drugbox}}) taken from revid of page ] with values updated to verified values.}}
	{{~~chembox~~		{{Drugbox
			\| Verifiedfields = changed
	\| verifiedrevid = ~~438585399~~		\| verifiedrevid = 457797076
	\|ImageFileL1=Boron triiodide.svg
			\| IUPAC_name = α-(5,6-dimethylbenzimidazolyl)cobamidcyanide
	\|ImageSizeL1=120px
			\| image = cobalamin.png
	\|ImageFileR1=Boron-triiodide-3D-vdW.png
			\| width = 280
	\|ImageSizeR1=120px
			\| image2 = Cyanocobalamin-3D-sticks.png
	\|IUPACName=triiodoborane

	\|OtherNames=
			<!--Clinical data-->
	\|Reference= <ref>{{RubberBible86th}}</ref>
			\| tradename =
	\|Section1={{Chembox Identifiers
			\| Drugs.com = {{drugs.com\|monograph\|vitamin_b12}}
⚫	\| ChemSpiderID_Ref = {{chemspidercite\|correct\|chemspider}}
			\| pregnancy_AU = <!-- A / B1 / B2 / B3 / C / D / X -->
⚫	\| ChemSpiderID = ~~75378~~
			\| pregnancy_US = <!-- A / B / C / D / X -->
	\| InChI = 1/BI3/c2-1(3)4
			\| legal_AU = <!-- Unscheduled / S2 / S4 / S8 -->
	\| InChIKey = YMEKEHSRPZAOGO-UHFFFAOYAR
			\| legal_UK = POM
	\| StdInChI_Ref = {{stdinchicite\|correct\|chemspider}}
			\| legal_US = <!-- OTC / Rx-only -->
	\| StdInChI = 1S/BI3/c2-1(3)4
			\| routes_of_administration = oral, ]
	\| StdInChIKey_Ref = {{stdinchicite\|correct\|chemspider}}

⚫	\| StdInChIKey = ~~YMEKEHSRPZAOGO~~-~~UHFFFAOYSA~~-N
			<!--Pharmacokinetic data-->
⚫	\| ~~CASNo_Ref~~ = {{cascite\|correct\|??}}
			\| bioavailability = readily absorbed in distal half of the ileum
⚫	\| ~~CASNo~~ = <!-- blanked - oldvalue: ~~13517-10-7~~ -->
			\| protein_bound = Very high to specific ] plasma proteins<br>Binding of ] is slightly higher than cyanocobalamin.
⚫	\| PubChem=~~83546~~
			\| metabolism = ]
	\| SMILES = IB(I)I
			\| elimination_half-life = Approximately 6 days<br>(400 days in the liver)
	}}
			\| excretion = ]
	\|Section2={{Chembox Properties

	\| Formula=BI<sub>3</sub>
			<!--Identifiers-->
	\| MolarMass=391.52 g/mol
		⚫	\| CAS_number_Ref = {{cascite\|correct\|??}}
	\| Appearance= crystalline solid
			\| CAS_number = 68-19-9
	\| Density=3.35 g/cm<sup>3</sup> (50 °C)
			\| ATC_prefix = B03
	\| MeltingPtC=49.9
			\| ATC_suffix = BA01
	\| BoilingPtC=210
			\| StdInChI = 1S/C62H90N13O14P.CN.Co/c1-29-20-39-40(21-30(29)2)75(28-70-39)57-52(84)53(41(27-76)87-57)89-90(85,86)88-31(3)26-69-49(83)18-19-59(8)37(22-46(66)80)56-62(11)61(10,25-48(68)82)36(14-17-45(65)79)51(74-62)33(5)55-60(9,24-47(67)81)34(12-15-43(63)77)38(71-55)23-42-58(6,7)35(13-16-44(64)78)50(72-42)32(4)54(59)73-56;1-2;/h20-21,23,28,31,34-37,41,52-53,56-57,76,84H,12-19,22,24-27H2,1-11H3,(H15,63,64,65,66,67,68,69,71,72,73,74,77,78,79,80,81,82,83,85,86);;/q;;+2/p-2/t31?,34-,35-,36-,37+,41-,52-,53-,56-,57+,59-,60+,61+,62+;;/m1../s1
	\| Solubility= reacts
		⚫	\| StdInChIKey = RMRCNWBMXRMIRW-WYVZQNDMSA-L
	}}
		⚫	\| PubChem = 5479203
	\|Section3={{Chembox Hazards
			\| DrugBank_Ref = {{drugbankcite\|changed\|drugbank}}
	\| MainHazards=
			\| DrugBank = <!-- blanked - oldvalue: APRD00326 -->
	\| FlashPt= -18 °C
		⚫	\| ChemSpiderID_Ref = {{chemspidercite\|correct\|chemspider}}
	\| Autoignition=
		⚫	\| ChemSpiderID = 10469504
	}}
			\| KEGG_Ref = {{keggcite\|correct\|kegg}}

			\| KEGG = D00166
	\| Section8 = {{Chembox Related
			\| ChEMBL_Ref = {{ebicite\|changed\|EBI}}
	\| OtherCpds = ]<br/>]<br />]
		⚫	\| ChEMBL = <!-- blanked - oldvalue: 1697777 -->
	}}
			\| C=63 \| H=88 \| Co=1 \| N=14 \| O=14 \| P=1
			\| molecular_weight = 1355.37 g/mol
	}}		}}

Revision as of 13:41, 15 February 2012

This page contains a copy of the infobox ({{drugbox}}) taken from revid 476539724 of page Vitamin_B12 with values updated to verified values.

WikiProject Chemicals/Chembox validation/VerifiedDataSandbox
Clinical data


AHFS/Drugs.com	Monograph
Routes of administration	oral, iv
ATC code	B03BA01 (WHO)
Legal status
Legal status	UK: POM (Prescription only)
Pharmacokinetic data
Bioavailability	readily absorbed in distal half of the ileum
Protein binding	Very high to specific transcobalamins plasma proteins Binding of hydroxocobalamin is slightly higher than cyanocobalamin.
Metabolism	hepatic
Elimination half-life	Approximately 6 days (400 days in the liver)
Excretion	renal
Identifiers
IUPAC name α-(5,6-dimethylbenzimidazolyl)cobamidcyanide
CAS Number	68-19-9
PubChem CID	5479203
ChemSpider	10469504
KEGG	D00166
Chemical and physical data
Formula	C₆₃H₈₈CoN₁₄O₁₄P
Molar mass	1355.37 g/mol g·mol
InChI InChI=1S/C62H90N13O14P.CN.Co/c1-29-20-39-40(21-30(29)2)75(28-70-39)57-52(84)53(41(27-76)87-57)89-90(85,86)88-31(3)26-69-49(83)18-19-59(8)37(22-46(66)80)56-62(11)61(10,25-48(68)82)36(14-17-45(65)79)51(74-62)33(5)55-60(9,24-47(67)81)34(12-15-43(63)77)38(71-55)23-42-58(6,7)35(13-16-44(64)78)50(72-42)32(4)54(59)73-56;1-2;/h20-21,23,28,31,34-37,41,52-53,56-57,76,84H,12-19,22,24-27H2,1-11H3,(H15,63,64,65,66,67,68,69,71,72,73,74,77,78,79,80,81,82,83,85,86);;/q;;+2/p-2/t31?,34-,35-,36-,37+,41-,52-,53-,56-,57+,59-,60+,61+,62+;;/m1../s1 Key:RMRCNWBMXRMIRW-WYVZQNDMSA-L
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