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

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Revision as of 13:12, 6 December 2011 editBeetstra (talk \| contribs)Edit filter managers, Administrators172,031 edits Saving copy of the {{drugbox}} taken from revid 447431053 of page Roxatidine for the Chem/Drugbox validation project (updated: 'CAS_number').← Previous edit		Revision as of 13:13, 6 December 2011 edit undoBeetstra (talk \| contribs)Edit filter managers, Administrators172,031 edits Saving copy of the {{drugbox}} taken from revid 447110409 of page Roxithromycin for the Chem/Drugbox validation project (updated: 'DrugBank').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
	\| verifiedrevid = ~~443579961~~		\| verifiedrevid = 443360310
			\| IUPAC_name = (3''R'',4''S'',5''S'',6''R'',7''R'',9''R'',11''S'',12''R'',13''S'',14''R'')-6-oxy-14-ethyl-7,12,13-trihydroxy-4-oxy-10-(2-methoxyethoxymethoxyimino)-3,5,7,9,11,13-hexamethyl-1-oxacyclotetradecan-2-one
	\| IUPAC_name = 2-oxo-2-(3-propylamino)ethyl acetate
	\| image = ~~Roxatidine acetate~~.svg		\| image = Roxithromycin.svg
	\| width = 250
	\| drug_name = Roxatidine acetate

	<!--Clinical data-->		<!--Clinical data-->
	\| tradename =		\| tradename =
			\| Drugs.com = {{drugs.com\|international\|roxithromycin}}
	\| pregnancy_category =
			\| pregnancy_category = ? (]) <br /> B1 (])
	\| legal_status =		\| legal_status =
	\| routes_of_administration = ~~Oral~~		\| routes_of_administration =

	<!--Pharmacokinetic data-->		<!--Pharmacokinetic data-->
	\| bioavailability = ~~80–90%~~		\| bioavailability =
	\| protein_bound = ~~5–7%~~		\| protein_bound =
	\| metabolism = ] ~~]<br>Minor~~ ~~involvement~~ of ] ~~and~~ ]		\| metabolism = Liver, peak concentration averaging 2 hours after ingestion.
	\| elimination_half-life = ~~5–7~~ hours		\| elimination_half-life = 12 hours
	\| excretion = ]

	<!--Identifiers-->		<!--Identifiers-->
	\| CAS_number = <!-~~- blanked - oldvalue: 78628-28~~-1 ~~-->~~		\| CAS_number = 80214-83-1
	\| ATC_prefix = ~~A02~~		\| ATC_prefix = J01
			\| ATC_supplemental = FA06
	\| ATC_suffix = BA06
	\| PubChem = ~~5105~~		\| PubChem = 6915744
	\| DrugBank_Ref = {{drugbankcite\|correct\|drugbank}}		\| DrugBank_Ref = {{drugbankcite\|correct\|drugbank}}
	\| DrugBank = ~~DB08806~~		\| DrugBank = DB00778
	\| ChemSpiderID_Ref = {{chemspidercite\|correct\|chemspider}}		\| ChemSpiderID_Ref = {{chemspidercite\|correct\|chemspider}}
	\| ChemSpiderID = ~~4926~~		\| ChemSpiderID = 5291557
	\| UNII_Ref = {{fdacite\|correct\|FDA}}		\| UNII_Ref = {{fdacite\|correct\|FDA}}
	\| UNII = ~~IV9VHT3YUM~~		\| UNII = 21KOF230FA
	\| KEGG_Ref = {{keggcite\|correct\|kegg}}		\| KEGG_Ref = {{keggcite\|correct\|kegg}}
	\| KEGG = ~~D08495~~		\| KEGG = D01710
			\| ChEBI_Ref = {{ebicite\|correct\|EBI}}
			\| ChEBI = 48935
	\| ChEMBL_Ref = {{ebicite\|correct\|EBI}}		\| ChEMBL_Ref = {{ebicite\|correct\|EBI}}
	\| ChEMBL = ~~46102~~		\| ChEMBL = 1214185

	<!--Chemical data-->		<!--Chemical data-->
	\| C=19 \| H=28 \| N=2 \| O=4		\| C=41 \| H=76 \| N=2 \| O=15
	\| molecular_weight = ~~348~~.~~437~~ g/mol		\| molecular_weight = 837.047 g/mol
			\| smiles = O=C3O(CC)(O)(C)(O)(\C(=N\OCOCCOC)(C)C(O)(C)(O1O(C)C(N(C)C)1O)((O2O((O)(OC)(C2)C)C)3C)C)C
	\| smiles = O=C(OCC(=O)NCCCOc1cc(ccc1)CN2CCCCC2)C
			\| InChI = 1/C41H76N2O15/c1-15-29-41(10,49)34(45)24(4)31(42-53-21-52-17-16-50-13)22(2)19-39(8,48)36(58-38-32(44)28(43(11)12)18-23(3)54-38)25(5)33(26(6)37(47)56-29)57-30-20-40(9,51-14)35(46)27(7)55-30/h22-30,32-36,38,44-46,48-49H,15-21H2,1-14H3/b42-31+/t22-,23-,24+,25+,26-,27+,28+,29-,30+,32-,33+,34-,35+,36-,38+,39-,40-,41-/m1/s1
	\| InChI = 1/C19H28N2O4/c1-16(22)25-15-19(23)20-9-6-12-24-18-8-5-7-17(13-18)14-21-10-3-2-4-11-21/h5,7-8,13H,2-4,6,9-12,14-15H2,1H3,(H,20,23)
	\| InChIKey = ~~SMTZFNFIKUPEJC~~-~~UHFFFAOYAO~~		\| InChIKey = RXZBMPWDPOLZGW-XMRMVWPWBP
	\| StdInChI_Ref = {{stdinchicite\|correct\|chemspider}}		\| StdInChI_Ref = {{stdinchicite\|correct\|chemspider}}
			\| StdInChI = 1S/C41H76N2O15/c1-15-29-41(10,49)34(45)24(4)31(42-53-21-52-17-16-50-13)22(2)19-39(8,48)36(58-38-32(44)28(43(11)12)18-23(3)54-38)25(5)33(26(6)37(47)56-29)57-30-20-40(9,51-14)35(46)27(7)55-30/h22-30,32-36,38,44-46,48-49H,15-21H2,1-14H3/b42-31+/t22-,23-,24+,25+,26-,27+,28+,29-,30+,32-,33+,34-,35+,36-,38+,39-,40-,41-/m1/s1
	\| StdInChI = 1S/C19H28N2O4/c1-16(22)25-15-19(23)20-9-6-12-24-18-8-5-7-17(13-18)14-21-10-3-2-4-11-21/h5,7-8,13H,2-4,6,9-12,14-15H2,1H3,(H,20,23)
	\| StdInChIKey_Ref = {{stdinchicite\|correct\|chemspider}}		\| StdInChIKey_Ref = {{stdinchicite\|correct\|chemspider}}
	\| StdInChIKey = ~~SMTZFNFIKUPEJC~~-~~UHFFFAOYSA~~-N		\| StdInChIKey = RXZBMPWDPOLZGW-XMRMVWPWSA-N
	}}		}}

Revision as of 13:13, 6 December 2011

This page contains a copy of the infobox ({{drugbox}}) taken from revid 447110409 of page Roxithromycin with values updated to verified values.

WikiProject Chemicals/Chembox validation/VerifiedDataSandbox
Clinical data

AHFS/Drugs.com	International Drug Names
Pregnancy category	? (USA) B1 (Aus)
ATC code	J01 FA06
Pharmacokinetic data
Metabolism	Liver, peak concentration averaging 2 hours after ingestion.
Elimination half-life	12 hours
Identifiers
IUPAC name (3R,4S,5S,6R,7R,9R,11S,12R,13S,14R)-6-oxy-14-ethyl-7,12,13-trihydroxy-4-oxy-10-(2-methoxyethoxymethoxyimino)-3,5,7,9,11,13-hexamethyl-1-oxacyclotetradecan-2-one
CAS Number	80214-83-1
PubChem CID	6915744
DrugBank	DB00778
ChemSpider	5291557
UNII	21KOF230FA
KEGG	D01710
ChEBI	CHEBI:48935
ChEMBL	ChEMBL1214185
Chemical and physical data
Formula	C₄₁H₇₆N₂O₁₅
Molar mass	837.047 g/mol g·mol
3D model (JSmol)	Interactive image
SMILES O=C3O(CC)(O)(C)(O)(\C(=N\OCOCCOC)(C)C(O)(C)(O1O(C)C(N(C)C)1O)((O2O((O)(OC)(C2)C)C)3C)C)C
InChI InChI=1S/C41H76N2O15/c1-15-29-41(10,49)34(45)24(4)31(42-53-21-52-17-16-50-13)22(2)19-39(8,48)36(58-38-32(44)28(43(11)12)18-23(3)54-38)25(5)33(26(6)37(47)56-29)57-30-20-40(9,51-14)35(46)27(7)55-30/h22-30,32-36,38,44-46,48-49H,15-21H2,1-14H3/b42-31+/t22-,23-,24+,25+,26-,27+,28+,29-,30+,32-,33+,34-,35+,36-,38+,39-,40-,41-/m1/s1 Key:RXZBMPWDPOLZGW-XMRMVWPWSA-N
(verify)