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

< Misplaced Pages:WikiProject Chemicals | Chembox validation Browse history interactively ← Previous edit Next edit →Content deleted Content addedVisual WikitextInline

Revision as of 17:33, 16 February 2012 editBeetstra (talk \| contribs)Edit filter managers, Administrators172,031 edits Saving copy of the {{drugbox}} taken from revid 473857222 of page 20-Hydroxyecdysone for the Chem/Drugbox validation project (updated: 'CAS_number').← Previous edit		Revision as of 17:34, 16 February 2012 edit undoBeetstra (talk \| contribs)Edit filter managers, Administrators172,031 edits Saving copy of the {{chembox}} taken from revid 443316711 of page 22-Dihydroergocalciferol for the Chem/Drugbox validation project (updated: 'CASNo').Next edit →
Line 1:		Line 1:
	{{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
		⚫	\| verifiedrevid = 443315630
	\| Verifiedfields = changed
			\| ImageFile = 22-Dihydroergocalciferol.png
⚫	\| verifiedrevid = ~~456500273~~
			\| ImageSize = 180px
	\| IUPAC_name = (2β,3β,5β,22R)-2,3,14,20,22,25-Hexahydroxycholest-7-en-6-one
			\| IUPACName = <small>(1S,3Z)-3--7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexan-1-ol</small>
	\| image = 20-hydroxyecdysone.png
			\| OtherNames =(5Z,7E)-(3S)-9,10-seco-5,7,10(19)-ergostatrien-3-ol<br>(24S)-Methylcalciol<br>22,23-Dihydroercalciol<ref name="nomenclature">, ]</ref><br>Vitamin D<sub>4</sub>

			\| Section1 = {{Chembox Identifiers
	<!--Clinical data-->
	\| tradename =
	\| pregnancy_AU =
	\| pregnancy_US =
	\| pregnancy_category = X
	\| legal_AU = <!-- S2, S3, S4, S5, S6, S7, S8, S9 or Unscheduled-->
	\| legal_CA = <!-- Schedule I, II, III, IV, V, VI, VII, VIII -->
	\| legal_UK = <!-- GSL, P, POM, CD, or Class A, B, C -->
	\| legal_US = <!-- OTC / Rx-only / Schedule I, II, III, IV, V -->
	\| legal_status = Undetermined
	\| routes_of_administration = ]

	<!--Pharmacokinetic data-->
	\| bioavailability =
	\| protein_bound =
	\| metabolism = ]
	\| elimination_half-life = 4-9 hours
	\| excretion = ]:?%

	<!--Identifiers-->
	\| CAS_number_Ref = {{cascite\|changed\|??}}
⚫	\| ~~CAS_number~~ = <!-- blanked - oldvalue: ~~5289~~-74-7 -->
	\| ATC_prefix =
	\| ATC_suffix =
⚫	\| PubChem = ~~5459840~~
	\| DrugBank_Ref = {{drugbankcite\|correct\|drugbank}}
	\| DrugBank =
	\| ChemSpiderID_Ref = {{chemspidercite\|correct\|chemspider}}		\| ChemSpiderID_Ref = {{chemspidercite\|correct\|chemspider}}
	\| ChemSpiderID = ~~4573597~~		\| ChemSpiderID = 4574179
			\| InChI = 1/C28H46O/c1-19(2)20(3)9-10-22(5)26-15-16-27-23(8-7-17-28(26,27)6)12-13-24-18-25(29)14-11-21(24)4/h12-13,19-20,22,25-27,29H,4,7-11,14-18H2,1-3,5-6H3/b23-12+,24-13-/t20-,22+,25-,26+,27-,28+/m0/s1
⚫	\| ChEBI_Ref = {{ebicite\|correct\|EBI}}
			\| InChIKey = DIPPFEXMRDPFBK-JPWDPSJFBS
⚫	\| ChEBI = ~~16587~~
	\| ChEMBL_Ref = {{ebicite\|correct\|EBI}}
	\| ChEMBL = 224128

	<!--Chemical data-->
	\| C=27 \| H=44 \| O=7
	\| molecular_weight = 480.63 g/mol
	\| smiles = O=C1\C=C3/(2(C(O)(O)C12)C)CC4(3(O)CC4(O)(C)(O)CCC(O)(C)C)C
	\| InChI = 1/C27H44O7/c1-23(2,32)9-8-22(31)26(5,33)21-7-11-27(34)16-12-18(28)17-13-19(29)20(30)14-24(17,3)15(16)6-10-25(21,27)4/h12,15,17,19-22,29-34H,6-11,13-14H2,1-5H3/t15-,17-,19+,20-,21-,22+,24+,25+,26+,27+/m0/s1
	\| InChIKey = NKDFYOWSKOHCCO-YPVLXUMRBN
	\| StdInChI_Ref = {{stdinchicite\|correct\|chemspider}}		\| StdInChI_Ref = {{stdinchicite\|correct\|chemspider}}
	\| StdInChI = 1S/~~C27H44O7~~/c1-23(2~~,32~~)9-8-22(31)26~~(5,33)21~~-7-11-27(~~34)16~~-12-~~18(~~28)17-13-19(29~~)20(30~~)14-~~24(17,3)15(16)6~~-~~10-25~~(~~21,27~~)4/h12~~,15,17~~,19-22,29-~~34H~~,6-11,13-~~14H2~~,1-~~5H3/t15-~~,17-~~,19~~+,20-~~,21~~-,22~~+,24~~+,25+,26+,27+/m0/s1		\| StdInChI = 1S/C28H46O/c1-19(2)20(3)9-10-22(5)26-15-16-27-23(8-7-17-28(26,27)6)12-13-24-18-25(29)14-11-21(24)4/h12-13,19-20,22,25-27,29H,4,7-11,14-18H2,1-3,5-6H3/b23-12+,24-13-/t20-,22+,25-,26+,27-,28+/m0/s1
	\| StdInChIKey_Ref = {{stdinchicite\|correct\|chemspider}}		\| StdInChIKey_Ref = {{stdinchicite\|correct\|chemspider}}
	\| StdInChIKey = ~~NKDFYOWSKOHCCO~~-~~YPVLXUMRSA~~-N		\| StdInChIKey = DIPPFEXMRDPFBK-JPWDPSJFSA-N
		⚫	\| CASNo = <!-- blanked - oldvalue: 511-28-4 -->
		⚫	\| PubChem = 5460703
		⚫	\| ChEBI_Ref = {{ebicite\|correct\|EBI}}
		⚫	\| ChEBI = 33237
			\| SMILES = O1CC(\C(=C)CC1)=C\C=C2/CCC3(2CC3(C)CC(C)C(C)C)C
			}}
			\| Section2 = {{Chembox Properties
			\| Formula = C<sub>28</sub>H<sub>46</sub>O
			\| MolarMass = 398.66 g/mol
			\| Appearance =
			\| Density =
			\| MeltingPt =
			\| BoilingPt =
			\| Solubility = }}
			\| Section3 = {{Chembox Hazards
			\| MainHazards =
			\| FlashPt =
			\| Autoignition = }}
	}}		}}

Revision as of 17:34, 16 February 2012

This page contains a copy of the infobox ({{chembox}}) taken from revid 443316711 of page 22-Dihydroergocalciferol with values updated to verified values.

WikiProject Chemicals/Chembox validation/VerifiedDataSandbox
Names

IUPAC name (1S,3Z)-3--7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexan-1-ol
Other names (5Z,7E)-(3S)-9,10-seco-5,7,10(19)-ergostatrien-3-ol (24S)-Methylcalciol 22,23-Dihydroercalciol Vitamin D₄
Identifiers
3D model (JSmol)	Interactive image
ChEBI	CHEBI:33237
ChemSpider	4574179
PubChem CID	5460703
InChI InChI=1S/C28H46O/c1-19(2)20(3)9-10-22(5)26-15-16-27-23(8-7-17-28(26,27)6)12-13-24-18-25(29)14-11-21(24)4/h12-13,19-20,22,25-27,29H,4,7-11,14-18H2,1-3,5-6H3/b23-12+,24-13-/t20-,22+,25-,26+,27-,28+/m0/s1Key: DIPPFEXMRDPFBK-JPWDPSJFSA-N InChI=1/C28H46O/c1-19(2)20(3)9-10-22(5)26-15-16-27-23(8-7-17-28(26,27)6)12-13-24-18-25(29)14-11-21(24)4/h12-13,19-20,22,25-27,29H,4,7-11,14-18H2,1-3,5-6H3/b23-12+,24-13-/t20-,22+,25-,26+,27-,28+/m0/s1Key: DIPPFEXMRDPFBK-JPWDPSJFBS
SMILES O1CC(\C(=C)CC1)=C\C=C2/CCC3(2CC3(C)CC(C)C(C)C)C
Properties
Chemical formula	C₂₈H₄₆O
Molar mass	398.66 g/mol
Except where otherwise noted, data are given for materials in their standard state (at 25 °C , 100 kPa). Y verify (what is ?) Infobox references

Tracking categories (test):

SizeSet

Chemical compound

Nomenclature of Vitamin D, IUPAC