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

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Revision as of 14:48, 24 November 2011 editBeetstra (talk \| contribs)Edit filter managers, Administrators172,031 edits Saving copy of the {{drugbox}} taken from revid 456822237 of page Otamixaban for the Chem/Drugbox validation project (updated: 'CAS_number').← Previous edit		Revision as of 14:48, 24 November 2011 edit undoBeetstra (talk \| contribs)Edit filter managers, Administrators172,031 edits Saving copy of the {{drugbox}} taken from revid 456546937 of page Ouabain for the Chem/Drugbox validation project (updated: 'ChEMBL').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\|drugbox}}) taken from revid of page ] with values updated to verified values.}}
	{{Drugbox		{{Drugbox
	\| Verifiedfields = changed		\| Verifiedfields = changed
	\| Watchedfields = changed		\| Watchedfields = changed
	\| verifiedrevid = ~~415884472~~		\| verifiedrevid = 402514354
			\| IUPAC_name = 1β,3β,5β,11α,14,19-Hexahydroxycard-20(22)-enolide 3-(6-deoxy-α-L-mannopyranoside)<br />OR<br />4-phenanthren-17-yl]furan-2(5''H'')-one
	\| IUPAC_name = Methyl (2''R'',3''R'')-2-{3-benzyl}-3-{amino}butanoate
	\| image = ~~Otamixaban~~.~~svg~~		\| image = Ouabain.png
	\| image2 = Otamixaban 3D.png

	<!--Clinical data-->		<!--Clinical data-->
	\| tradename =		\| tradename = Strodival
			\| Drugs.com = {{drugs.com\|international\|strodival}}
	\| pregnancy_AU = <!-- A / B1 / B2 / B3 / C / D / X -->		\| pregnancy_AU = <!-- A / B1 / B2 / B3 / C / D / X -->
	\| pregnancy_US = <!-- A / B / C / D / X -->		\| pregnancy_US = <!-- A / B / C / D / X -->
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	<!--Identifiers-->		<!--Identifiers-->
			\| CASNo_Ref = {{cascite\|correct\|CAS}}
	\| CAS_number_Ref = {{cascite\|correct\|??}}		\| CAS_number_Ref = {{cascite\|correct\|??}}
	\| CAS_number = <!-- ~~blanked - oldvalue: 193153-04-7 -->~~		\| CAS_number = 630-60-4
	\| ATC_prefix = ~~none~~		\| ATC_prefix = C01
	\| ATC_suffix =		\| ATC_suffix = AC01
	\| PubChem = ~~5496659~~		\| PubChem = 439501
	\| DrugBank_Ref = {{drugbankcite\|~~correct~~\|drugbank}}		\| DrugBank_Ref = {{drugbankcite\|changed\|drugbank}}
	\| DrugBank =		\| DrugBank = DB01092
	\| ChemSpiderID_Ref = {{chemspidercite\|correct\|chemspider}}		\| ChemSpiderID_Ref = {{chemspidercite\|correct\|chemspider}}
	\| ChemSpiderID = ~~4593439~~		\| ChemSpiderID = 388599
	\| UNII_Ref = {{fdacite\|changed\|FDA}}		\| UNII_Ref = {{fdacite\|changed\|FDA}}
	\| UNII = ~~S173RED00L~~		\| UNII = 5ACL011P69
	\| ~~ChEMBL_Ref~~ = {{~~ebicite~~\|~~correct~~\|~~EBI~~}}		\| KEGG_Ref = {{keggcite\|changed\|kegg}}
	\| ~~ChEMBL~~ = ~~46618~~		\| KEGG = D00112
			\| ChEBI_Ref = {{ebicite\|changed\|EBI}}

			\| ChEBI = 472805
	<!--Chemical data-->
			\| ChEMBL_Ref = {{ebicite\|changed\|EBI}}
⚫	\| C=25 \| H=~~26 \| N=4~~ \| O=4
			\| ChEMBL = 222863
⚫	\| molecular_weight = ~~446~~.~~498 g/mol~~
		⚫	\| C=29 \| H=44 \| O=12
	\| smiles = O=C(OC)(Cc1cc(C(=)N)ccc1)(NC(=O)c3ccc(c2cc()cc2)cc3)C
		⚫	\| molecular_weight = 584.652
	\| InChI = 1/C25H26N4O4/c1-16(22(25(31)33-2)15-17-4-3-5-21(14-17)23(26)27)28-24(30)20-8-6-18(7-9-20)19-10-12-29(32)13-11-19/h3-14,16,22H,15H2,1-2H3,(H3,26,27)(H,28,30)/t16-,22-/m1/s1
			\| smiles = O=C\1OC/C(=C/1)2CC6(O)2(C)C(O)46CC5(O)C(O3O((O)(O)3O)C)C(O)45CO
	\| InChIKey = PFGVNLZDWRZPJW-OPAMFIHVBD
			\| InChI = 1/C29H44O12/c1-13-22(34)23(35)24(36)25(40-13)41-15-8-19(32)28(12-30)21-17(3-5-27(28,37)9-15)29(38)6-4-16(14-7-20(33)39-11-14)26(29,2)10-18(21)31/h7,13,15-19,21-25,30-32,34-38H,3-6,8-12H2,1-2H3/t13-,15-,16+,17+,18+,19+,21+,22-,23+,24+,25-,26+,27-,28+,29-/m0/s1
			\| InChIKey = LPMXVESGRSUGHW-HBYQJFLCBJ
	\| StdInChI_Ref = {{stdinchicite\|correct\|chemspider}}		\| StdInChI_Ref = {{stdinchicite\|correct\|chemspider}}
	\| StdInChI = 1S/~~C25H26N4O4~~/c1-~~16(~~22(25(31)33-2)15-17-4-3-5-21(14-17)23(26)~~27)28-24(30)20~~-8-6-~~18(~~7-9-20)19-~~10-12~~-29(32)13~~-11~~-19~~/h3~~-14,16,~~22H~~,~~15H2~~,1-2H3,~~(H3~~,26,27~~)(H~~,28,~~30)/t16-,22~~-/m1/s1		\| StdInChI = 1S/C29H44O12/c1-13-22(34)23(35)24(36)25(40-13)41-15-8-19(32)28(12-30)21-17(3-5-27(28,37)9-15)29(38)6-4-16(14-7-20(33)39-11-14)26(29,2)10-18(21)31/h7,13,15-19,21-25,30-32,34-38H,3-6,8-12H2,1-2H3/t13-,15-,16+,17+,18+,19+,21+,22-,23+,24+,25-,26+,27-,28+,29-/m0/s1
	\| StdInChIKey_Ref = {{stdinchicite\|correct\|chemspider}}		\| StdInChIKey_Ref = {{stdinchicite\|correct\|chemspider}}
	\| StdInChIKey = ~~PFGVNLZDWRZPJW~~-~~OPAMFIHVSA~~-N		\| StdInChIKey = LPMXVESGRSUGHW-HBYQJFLCSA-N
	}}		}}

Revision as of 14:48, 24 November 2011

This page contains a copy of the infobox ({{drugbox}}) taken from revid 456546937 of page Ouabain with values updated to verified values.

WikiProject Chemicals/Chembox validation/VerifiedDataSandbox
Clinical data

Trade names	Strodival
AHFS/Drugs.com	International Drug Names
ATC code	C01AC01 (WHO)
Identifiers
IUPAC name 1β,3β,5β,11α,14,19-Hexahydroxycard-20(22)-enolide 3-(6-deoxy-α-L-mannopyranoside) OR 4-phenanthren-17-yl]furan-2(5H)-one
CAS Number	630-60-4
PubChem CID	439501
DrugBank	DB01092
ChemSpider	388599
UNII	5ACL011P69
KEGG	D00112
ChEBI	CHEBI:472805
ChEMBL	ChEMBL222863
Chemical and physical data
Formula	C₂₉H₄₄O₁₂
Molar mass	584.652 g·mol
3D model (JSmol)	Interactive image
SMILES O=C\1OC/C(=C/1)2CC6(O)2(C)C(O)46CC5(O)C(O3O((O)(O)3O)C)C(O)45CO
InChI InChI=1S/C29H44O12/c1-13-22(34)23(35)24(36)25(40-13)41-15-8-19(32)28(12-30)21-17(3-5-27(28,37)9-15)29(38)6-4-16(14-7-20(33)39-11-14)26(29,2)10-18(21)31/h7,13,15-19,21-25,30-32,34-38H,3-6,8-12H2,1-2H3/t13-,15-,16+,17+,18+,19+,21+,22-,23+,24+,25-,26+,27-,28+,29-/m0/s1 Key:LPMXVESGRSUGHW-HBYQJFLCSA-N
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