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

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Revision as of 13:32, 24 November 2011 editBeetstra (talk \| contribs)Edit filter managers, Administrators172,031 edits Saving copy of the {{drugbox}} taken from revid 457031218 of page Nafarelin for the Chem/Drugbox validation project (updated: 'DrugBank', 'ChEMBL').← Previous edit		Revision as of 13:32, 24 November 2011 edit undoBeetstra (talk \| contribs)Edit filter managers, Administrators172,031 edits Saving copy of the {{drugbox}} taken from revid 457078727 of page Nafcillin 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
	\| Verifiedfields = changed		\| Verifiedfields = changed
		⚫	\| verifiedrevid = 442004002
	\| Watchedfields = changed
			\| IUPAC_name = (2''S'',5''R'',6''R'')-6--3,3-dimethyl-7-oxo-4-thia-1-azabicycloheptane-2-carboxylic acid
⚫	\| verifiedrevid = ~~400321082~~
		⚫	\| image = Nafcillin.svg
	\| IUPAC_name = (2''R'')-''N''-pyrrolidin-1-yl]-1-oxopentan-2-yl]-2-formamido}propanamido]-3-(1''H''-indol-3-yl)propanamido]propanamido]-3-(4-hydroxyphenyl)propanamido]-3-(naphthalen-2-yl)propanamido]-4-methylpentanamide
⚫	\| image = ~~Nafarelin~~.svg

	<!--Clinical data-->		<!--Clinical data-->
	\| tradename = ~~Synarel~~		\| tradename =
	\| Drugs.com = {{drugs.com\|monograph\|~~synarel~~}}		\| Drugs.com = {{drugs.com\|monograph\|nafcillin-sodium}}
	\| MedlinePlus = ~~a601082~~		\| MedlinePlus = a685019
	\| ~~pregnancy_category~~ = X		\| pregnancy_US = B
	\| legal_status = ℞-only		\| legal_status = Rx-only
	\| routes_of_administration = ]		\| routes_of_administration = ], ]

	<!--Pharmacokinetic data-->		<!--Pharmacokinetic data-->
			\| bioavailability =
⚫	\| elimination_half-life = 2.~~6 to 4~~ hours
	\| ~~excretion~~ = ~~renal~~		\| protein_bound = 90%
			\| metabolism = <30% ]
		⚫	\| elimination_half-life = 0.5 hours
			\| excretion = Biliary and ]

	<!--Identifiers-->		<!--Identifiers-->
			\| CASNo_Ref = {{cascite\|correct\|CAS}}
	\| CAS_number_Ref = {{cascite\|correct\|??}}		\| CAS_number_Ref = {{cascite\|correct\|??}}
	\| CAS_number = ~~76932~~-56-4		\| CAS_number = 985-16-0
	\| ATC_prefix = ~~H01~~		\| ATC_prefix = none
	\| ATC_suffix = ~~CA02~~		\| ATC_suffix =
	\| PubChem = ~~25077649~~		\| PubChem = 8982
	\| DrugBank_Ref = {{drugbankcite\|correct\|drugbank}}		\| DrugBank_Ref = {{drugbankcite\|correct\|drugbank}}
	\| DrugBank = ~~DB00666~~		\| DrugBank = DB00607
	\| ChemSpiderID_Ref = {{chemspidercite\|correct\|chemspider}}		\| ChemSpiderID_Ref = {{chemspidercite\|correct\|chemspider}}
	\| ChemSpiderID = ~~10482014~~		\| ChemSpiderID = 8634
	\| UNII_Ref = {{fdacite\|~~changed~~\|FDA}}		\| UNII_Ref = {{fdacite\|correct\|FDA}}
	\| UNII = ~~1X0094V6JV~~		\| UNII = SY07234TTS
	\| ~~ChEMBL_Ref~~ = {{ebicite\|changed\|EBI}}		\| ChEBI_Ref = {{ebicite\|changed\|EBI}}
			\| ChEBI = 7447
	\| ChEMBL = <!-- blanked - oldvalue: 1201309 -->
			\| ChEMBL_Ref = {{ebicite\|correct\|EBI}}
⚫	\| C=66 \| H=83 \| N=17 \| O=13
			\| ChEMBL = 1443
⚫	\| molecular_weight = ~~1321~~.~~6344~~ g/mol

	\| InChI = 1/C66H83N17O13/c1-36(2)25-48(58(89)76-47(13-7-23-71-66(68)69)65(96)83-24-8-14-54(83)64(95)73-33-55(67)86)77-60(91)50(28-38-15-18-39-9-3-4-10-40(39)26-38)78-59(90)49(27-37-16-19-43(85)20-17-37)79-63(94)53(34-84)82-61(92)51(29-41-31-72-45-12-6-5-11-44(41)45)80-62(93)52(30-42-32-70-35-74-42)81-57(88)46-21-22-56(87)75-46/h3-6,9-12,15-20,26,31-32,35-36,46-54,72,84-85H,7-8,13-14,21-25,27-30,33-34H2,1-2H3,(H2,67,86)(H,70,74)(H,73,95)(H,75,87)(H,76,89)(H,77,91)(H,78,90)(H,79,94)(H,80,93)(H,81,88)(H,82,92)(H4,68,69,71)/t46-,47-,48-,49-,50+,51-,52-,53-,54-/m0/s1
			<!--Chemical data-->
	\| InChIKey = RWHUEXWOYVBUCI-ITQXDASVBR
		⚫	\| C=21 \| H=22 \| N=2 \| O=5 \| S=1
		⚫	\| molecular_weight = 414.476 g/mol
			\| smiles = O=C(O)3N4C(=O)(NC(=O)c2c1ccccc1ccc2OCC)4SC3(C)C
			\| InChI = 1/C21H22N2O5S/c1-4-28-13-10-9-11-7-5-6-8-12(11)14(13)17(24)22-15-18(25)23-16(20(26)27)21(2,3)29-19(15)23/h5-10,15-16,19H,4H2,1-3H3,(H,22,24)(H,26,27)/t15-,16+,19-/m1/s1
			\| InChIKey = GPXLMGHLHQJAGZ-JTDSTZFVBF
	\| StdInChI_Ref = {{stdinchicite\|correct\|chemspider}}		\| StdInChI_Ref = {{stdinchicite\|correct\|chemspider}}
			\| StdInChI = 1S/C21H22N2O5S/c1-4-28-13-10-9-11-7-5-6-8-12(11)14(13)17(24)22-15-18(25)23-16(20(26)27)21(2,3)29-19(15)23/h5-10,15-16,19H,4H2,1-3H3,(H,22,24)(H,26,27)/t15-,16+,19-/m1/s1
	\| StdInChI = 1S/C66H83N17O13/c1-36(2)25-48(58(89)76-47(13-7-23-71-66(68)69)65(96)83-24-8-14-54(83)64(95)73-33-55(67)86)77-60(91)50(28-38-15-18-39-9-3-4-10-40(39)26-38)78-59(90)49(27-37-16-19-43(85)20-17-37)79-63(94)53(34-84)82-61(92)51(29-41-31-72-45-12-6-5-11-44(41)45)80-62(93)52(30-42-32-70-35-74-42)81-57(88)46-21-22-56(87)75-46/h3-6,9-12,15-20,26,31-32,35-36,46-54,72,84-85H,7-8,13-14,21-25,27-30,33-34H2,1-2H3,(H2,67,86)(H,70,74)(H,73,95)(H,75,87)(H,76,89)(H,77,91)(H,78,90)(H,79,94)(H,80,93)(H,81,88)(H,82,92)(H4,68,69,71)/t46-,47-,48-,49-,50+,51-,52-,53-,54-/m0/s1
	\| StdInChIKey_Ref = {{stdinchicite\|correct\|chemspider}}		\| StdInChIKey_Ref = {{stdinchicite\|correct\|chemspider}}
	\| StdInChIKey = ~~RWHUEXWOYVBUCI~~-~~ITQXDASVSA~~-N		\| StdInChIKey = GPXLMGHLHQJAGZ-JTDSTZFVSA-N
	}}		}}

Revision as of 13:32, 24 November 2011

This page contains a copy of the infobox ({{drugbox}}) taken from revid 457078727 of page Nafcillin with values updated to verified values.

WikiProject Chemicals/Chembox validation/VerifiedDataSandbox
Clinical data

AHFS/Drugs.com	Monograph
MedlinePlus	a685019
Routes of administration	IM, IV
ATC code	none
Legal status
Legal status	In general: ℞ (Prescription only)
Pharmacokinetic data
Protein binding	90%
Metabolism	<30% hepatic
Elimination half-life	0.5 hours
Excretion	Biliary and renal
Identifiers
IUPAC name (2S,5R,6R)-6--3,3-dimethyl-7-oxo-4-thia-1-azabicycloheptane-2-carboxylic acid
CAS Number	985-16-0
PubChem CID	8982
DrugBank	DB00607
ChemSpider	8634
UNII	SY07234TTS
ChEBI	CHEBI:7447
ChEMBL	ChEMBL1443
Chemical and physical data
Formula	C₂₁H₂₂N₂O₅S
Molar mass	414.476 g/mol g·mol
3D model (JSmol)	Interactive image
SMILES O=C(O)3N4C(=O)(NC(=O)c2c1ccccc1ccc2OCC)4SC3(C)C
InChI InChI=1S/C21H22N2O5S/c1-4-28-13-10-9-11-7-5-6-8-12(11)14(13)17(24)22-15-18(25)23-16(20(26)27)21(2,3)29-19(15)23/h5-10,15-16,19H,4H2,1-3H3,(H,22,24)(H,26,27)/t15-,16+,19-/m1/s1 Key:GPXLMGHLHQJAGZ-JTDSTZFVSA-N
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