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

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Revision as of 15:11, 17 November 2011 editBeetstra (talk \| contribs)Edit filter managers, Administrators172,031 edits Saving copy of the {{drugbox}} taken from revid 447737817 of page Ganirelix for the Chem/Drugbox validation project (updated: 'ChEMBL', 'CAS_number').← Previous edit		Revision as of 15:12, 17 November 2011 edit undoBeetstra (talk \| contribs)Edit filter managers, Administrators172,031 edits Saving copy of the {{drugbox}} taken from revid 450475378 of page Gatifloxacin 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
			\| Watchedfields = changed
	\| IUPAC_name = (2''S'')-1-amino]-3-(4-chlorophenyl)propanoyl]amino]-3-pyridin-3-ylpropanoyl]amino]-3-hydroxypropanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-6-hexanoyl]amino]-4-methylpentanoyl]amino]-6-hexanoyl]-''N''-pyrrolidine-2-carboxamide
			\| verifiedrevid = 443833018
⚫	\| image = ~~Ganirelix~~.svg
			\| IUPAC_name = 1-cyclopropyl-6-fluoro- 8-methoxy-7-(3-methylpiperazin-1-yl)- 4-oxo-quinoline-3-carboxylic acid
		⚫	\| image = Gatifloxacin.svg

	<!--Clinical data-->		<!--Clinical data-->
	\| tradename =		\| tradename = Zymar
	\| Drugs.com = {{drugs.com\|monograph\|~~ganirelix-acetate~~}}		\| Drugs.com = {{drugs.com\|monograph\|gatifloxacin}}
	\| ~~pregnancy_US~~ = X		\| MedlinePlus = a605012
			\| pregnancy_category =
	\| ~~legal_US~~ = Rx-only		\| legal_status = Rx only
	\| routes_of_administration = ]
			\| routes_of_administration = Oral (discontinued),<br> ] (discontinued)<br>ophthalmic

	<!--Pharmacokinetic data-->		<!--Pharmacokinetic data-->
	\| bioavailability = ~~91.1%~~		\| bioavailability =
	\| protein_bound = ~~81.9~~%		\| protein_bound = 20%
			\| metabolism =
	\| elimination_half-life = ~~12.8~~ hours		\| elimination_half-life = 7 to 14 hours
	\| excretion = ] / ] (approx. 75%/22%)

	<!--Identifiers-->		<!--Identifiers-->
			\| CASNo_Ref = {{cascite\|correct\|CAS}}
	\| CAS_number = <!-- blanked - oldvalue: 123246-29-7 -->
			\| CAS_number = 112811-59-3
	\| CAS_supplemental = {{CAS\|129311-55-3}}
	\| ATC_prefix = ~~H01~~		\| ATC_prefix = J01
	\| ATC_suffix = ~~CC01~~		\| ATC_suffix = MA16
			\| ATC_supplemental = {{ATC\|S01\|AX21}}
	\| PubChem = ~~16186319~~		\| PubChem = 5379
⚫	\| ChemSpiderID = ~~16736620~~
			\| DrugBank_Ref = {{drugbankcite\|correct\|drugbank}}
			\| DrugBank = DB01044
			\| ChemSpiderID_Ref = {{chemspidercite\|correct\|chemspider}}
		⚫	\| ChemSpiderID = 5186
	\| UNII_Ref = {{fdacite\|correct\|FDA}}		\| UNII_Ref = {{fdacite\|correct\|FDA}}
	\| UNII = ~~IX503L9WN0~~		\| UNII = 81485Y3A9A
			\| KEGG_Ref = {{keggcite\|correct\|kegg}}
			\| KEGG = D08011
			\| ChEBI_Ref = {{ebicite\|correct\|EBI}}
			\| ChEBI = 5280
	\| ChEMBL_Ref = {{ebicite\|correct\|EBI}}		\| ChEMBL_Ref = {{ebicite\|correct\|EBI}}
	\| ChEMBL = ~~<!-- blanked - oldvalue: 1251 -->~~		\| ChEMBL = 31

⚫	\| C=80 \| H=~~113~~ \| Cl=1 \| N=18 \| O=13
			<!--Chemical data-->
⚫	\| molecular_weight = ~~1570~~.4 g/mol
		⚫	\| C=19 \| H=22 \| F=1 \| N=3 \| O=4
	\| StdInChI = 1S/C80H113ClN18O13/c1-9-84-79(85-10-2)88-39-17-15-27-60(70(104)94-62(42-49(5)6)71(105)93-61(28-16-18-40-89-80(86-11-3)87-12-4)78(112)99-41-21-29-68(99)77(111)90-50(7)69(82)103)92-72(106)63(44-53-32-36-58(102)37-33-53)97-76(110)67(48-100)98-74(108)65(45-54-22-20-38-83-47-54)96-73(107)64(43-52-30-34-57(81)35-31-52)95-75(109)66(91-51(8)101)46-56-25-19-24-55-23-13-14-26-59(55)56/h13-14,19-20,22-26,30-38,47,49-50,60-68,100,102H,9-12,15-18,21,27-29,39-46,48H2,1-8H3,(H2,82,103)(H,90,111)(H,91,101)(H,92,106)(H,93,105)(H,94,104)(H,95,109)(H,96,107)(H,97,110)(H,98,108)(H2,84,85,88)(H2,86,87,89)/t50-,60-,61+,62+,63+,64-,65-,66-,67+,68+/m1/s1
		⚫	\| molecular_weight = 375.394 ]/]
⚫	\| StdInChIKey = ~~BJQRBVMMHKUPPY~~-~~YYXZGPOZSA~~-N
			\| smiles = Fc1c(c(OC)c2c(c1)C(=O)C(\C(=O)O)=C/N2C3CC3)N4CC(NCC4)C
			\| InChI = 1/C19H22FN3O4/c1-10-8-22(6-5-21-10)16-14(20)7-12-15(18(16)27-2)23(11-3-4-11)9-13(17(12)24)19(25)26/h7,9-11,21H,3-6,8H2,1-2H3,(H,25,26)
			\| InChIKey = XUBOMFCQGDBHNK-UHFFFAOYAS
			\| StdInChI_Ref = {{stdinchicite\|correct\|chemspider}}
			\| StdInChI = 1S/C19H22FN3O4/c1-10-8-22(6-5-21-10)16-14(20)7-12-15(18(16)27-2)23(11-3-4-11)9-13(17(12)24)19(25)26/h7,9-11,21H,3-6,8H2,1-2H3,(H,25,26)
			\| StdInChIKey_Ref = {{stdinchicite\|correct\|chemspider}}
		⚫	\| StdInChIKey = XUBOMFCQGDBHNK-UHFFFAOYSA-N
	}}		}}

Revision as of 15:12, 17 November 2011

This page contains a copy of the infobox ({{drugbox}}) taken from revid 450475378 of page Gatifloxacin with values updated to verified values.

WikiProject Chemicals/Chembox validation/VerifiedDataSandbox
Clinical data

Trade names	Zymar
AHFS/Drugs.com	Monograph
MedlinePlus	a605012
Routes of administration	Oral (discontinued), Intravenous (discontinued) ophthalmic
ATC code	J01MA16 (WHO) S01AX21 (WHO)
Legal status
Legal status	In general: ℞ (Prescription only)
Pharmacokinetic data
Protein binding	20%
Elimination half-life	7 to 14 hours
Identifiers
IUPAC name 1-cyclopropyl-6-fluoro- 8-methoxy-7-(3-methylpiperazin-1-yl)- 4-oxo-quinoline-3-carboxylic acid
CAS Number	112811-59-3
PubChem CID	5379
DrugBank	DB01044
ChemSpider	5186
UNII	81485Y3A9A
KEGG	D08011
ChEBI	CHEBI:5280
ChEMBL	ChEMBL31
Chemical and physical data
Formula	C₁₉H₂₂FN₃O₄
Molar mass	375.394 g/mol g·mol
3D model (JSmol)	Interactive image
SMILES Fc1c(c(OC)c2c(c1)C(=O)C(\C(=O)O)=C/N2C3CC3)N4CC(NCC4)C
InChI InChI=1S/C19H22FN3O4/c1-10-8-22(6-5-21-10)16-14(20)7-12-15(18(16)27-2)23(11-3-4-11)9-13(17(12)24)19(25)26/h7,9-11,21H,3-6,8H2,1-2H3,(H,25,26) Key:XUBOMFCQGDBHNK-UHFFFAOYSA-N
(verify)