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

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Revision as of 13:42, 22 November 2011 editBeetstra (talk \| contribs)Edit filter managers, Administrators172,031 edits Saving copy of the {{drugbox}} taken from revid 460502754 of page Icodextrin for the Chem/Drugbox validation project (updated: 'ChEMBL', 'KEGG').← Previous edit		Revision as of 13:43, 22 November 2011 edit undoBeetstra (talk \| contribs)Edit filter managers, Administrators172,031 edits Saving copy of the {{drugbox}} taken from revid 447765362 of page Icatibant for the Chem/Drugbox validation project (updated: 'ChEMBL', 'CAS_number').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
			\| IUPAC_name = (2S)-2-<nowiki>amino]-5-(diaminomethylideneamino)pentanoyl]pyrrolidine-<BR/>2-carbonyl]-4-hydroxypyrrolidine-2-carbonyl]amino]acetyl]amino]-<BR/>3-thiophen-2-ylpropanoyl]amino]-3-hydroxypropanoyl]<BR/>3,4-dihydro-1H-isoquinoline-3-carbonyl]<BR/>2,3,3a,4,5,6,7,7a-octahydroindole-2-carbonyl]amino]-<BR/>5-(diaminomethylideneamino)pentanoic acid
	\| Verifiedfields = changed
			\| image = Icatibant.png
	\| verifiedrevid = 419621102
	\| IUPAC_name =
	\| image = Icodextrin skeletal.svg

	<!--Clinical data-->		<!--Clinical data-->
	\| tradename =		\| tradename =
	\| Drugs.com = {{drugs.com\|international\|~~icodextrin~~}}		\| Drugs.com = {{drugs.com\|international\|icatibant}}
			\| licence_EU = Firazyr
			\| licence_US = Icatibant
	\| pregnancy_AU = <!-- A / B1 / B2 / B3 / C / D / X -->		\| pregnancy_AU = <!-- A / B1 / B2 / B3 / C / D / X -->
	\| pregnancy_US = C		\| pregnancy_US = C
			\| pregnancy_category =
	\| legal_AU = <!-- S2, S3, S4, S5, S6, S7, S8, S9 or Unscheduled-->		\| legal_AU = <!-- S2, S3, S4, S5, S6, S7, S8, S9 or Unscheduled-->
	\| legal_CA = <!-- Schedule I, II, III, IV, V, VI, VII, VIII -->		\| legal_CA = <!-- Schedule I, II, III, IV, V, VI, VII, VIII -->
	\| legal_UK = <!-- GSL, P, POM, CD, or Class A, B, C -->		\| legal_UK = <!-- GSL, P, POM, CD, or Class A, B, C -->
	\| legal_US = ~~<!-- OTC /~~ Rx-only ~~/ Schedule I, II, III, IV, V -->~~		\| legal_US = Rx-only
	\| legal_status = Rx		\| legal_status =
	\| routes_of_administration = ]		\| routes_of_administration = subcutaneous

	<!--Pharmacokinetic data-->		<!--Pharmacokinetic data-->
	\| bioavailability = ~~40%~~ ~~in 12 hours~~		\| bioavailability =
	\| protein_bound =		\| protein_bound =
	\| metabolism = ]		\| metabolism =
	\| elimination_half-life =		\| elimination_half-life =
	\| excretion = ]		\| excretion =

	<!--Identifiers-->		<!--Identifiers-->
		⚫	\| CAS_number = <!-- blanked - oldvalue: 130308-48-4 -->
⚫	\| ~~CAS_number_Ref~~ = {{~~cascite~~\|correct\|??}}
			\| ATC_prefix = C01
	\| CAS_number = 337376-15-5
	\| ~~ATC_prefix~~ = ~~B05~~		\| ATC_suffix = EB19
	\| ATC_suffix = DA
	\| ATC_supplemental =		\| ATC_supplemental =
			\| PubChem = 71364
	\| PubChemSubstance = 17397419
			\| IUPHAR_ligand = 667
	\| DrugBank_Ref = {{drugbankcite\|correct\|drugbank}}
	\| DrugBank = ~~DB00702~~		\| DrugBank = DB06196
		⚫	\| ChemSpiderID = 16736634
	\| UNII_Ref = {{fdacite\|changed\|FDA}}
		⚫	\| UNII_Ref = {{fdacite\|correct\|FDA}}
	\| UNII = ~~2NX48Z0A9G~~		\| UNII = 7PG89G35Q7
	\| KEGG_Ref = {{keggcite\|correct\|kegg}}
	\| ~~KEGG~~ = <!-- blanked - oldvalue: ~~D03266~~ -->		\| ChEMBL = <!-- blanked - oldvalue: 375218 -->
			\| C=59 \| H=89 \| N=19 \| O=13 \| S=1
	\| ChEMBL_Ref = {{ebicite\|changed\|EBI}}
		⚫	\| molecular_weight = 1304.52 g/mol
⚫	\| ~~ChEMBL~~ = <!-- blanked - oldvalue: ~~1201472~~ -->
			\| smiles = C1CC2(C1)CC(N2C(=O)C3CC4=CC=CC=C4CN3C(=O)(CO)NC(=O)(CC5=CC=CS5)NC(=O)CNC(=O)C6C(CN6C(=O)C7CCCN7C(=O)C(CCCN=C(N)N)NC(=O)(CCCN=C(N)N)N)O)C(=O)N(CCCN=C(N)N)C(=O)O
	\| ChemSpiderID_Ref = {{chemspidercite\|changed\|chemspider}}
			\| StdInChI = 1S/C59H89N19O13S/c60-37(14-5-19-67-57(61)62)48(82)72-38(15-6-20-68-58(63)64)52(86)75-22-8-18-43(75)54(88)77-30-35(80)26-44(77)50(84)70-28-47(81)71-40(27-36-13-9-23-92-36)49(83)74-41(31-79)53(87)76-29-34-12-2-1-10-32(34)24-46(76)55(89)78-42-17-4-3-11-33(42)25-45(78)51(85)73-39(56(90)91)16-7-21-69-59(65)66/h1-2,9-10,12-13,23,33,35,37-46,79-80H,3-8,11,14-22,24-31,60H2,(H,70,84)(H,71,81)(H,72,82)(H,73,85)(H,74,83)(H,90,91)(H4,61,62,67)(H4,63,64,68)(H4,65,66,69)/t33-,35+,37+,38-,39-,40-,41-,42-,43-,44-,45?,46+/m0/s1
⚫	\| ChemSpiderID = NA
			\| StdInChIKey = QURWXBZNHXJZBE-OVZQYVDUSA-N

	<!--Chemical data-->
	\| chemical_formula = (C<sub>6</sub>H<sub>10</sub>O<sub>5</sub>)<sub>n</sub>

⚫	\| molecular_weight = ~~13–19~~ ]
	\| smiles =
	\| synonyms =
	}}		}}

Revision as of 13:43, 22 November 2011

This page contains a copy of the infobox ({{drugbox}}) taken from revid 447765362 of page Icatibant with values updated to verified values.

WikiProject Chemicals/Chembox validation/VerifiedDataSandbox
Clinical data

AHFS/Drugs.com	International Drug Names
License data	EU EMA: by INN US FDA: Icatibant
Routes of administration	subcutaneous
ATC code	C01EB19 (WHO)
Legal status
Legal status	US: ℞-only
Identifiers
IUPAC name (2S)-2-amino]-5-(diaminomethylideneamino)pentanoyl]pyrrolidine- 2-carbonyl]-4-hydroxypyrrolidine-2-carbonyl]amino]acetyl]amino]- 3-thiophen-2-ylpropanoyl]amino]-3-hydroxypropanoyl] 3,4-dihydro-1H-isoquinoline-3-carbonyl] 2,3,3a,4,5,6,7,7a-octahydroindole-2-carbonyl]amino]- 5-(diaminomethylideneamino)pentanoic acid
PubChem CID	71364
IUPHAR/BPS	667
DrugBank	DB06196
ChemSpider	16736634
UNII	7PG89G35Q7
Chemical and physical data
Formula	C₅₉H₈₉N₁₉O₁₃S
Molar mass	1304.52 g/mol g·mol
3D model (JSmol)	Interactive image
SMILES C1CC2(C1)CC(N2C(=O)C3CC4=CC=CC=C4CN3C(=O)(CO)NC(=O)(CC5=CC=CS5)NC(=O)CNC(=O)C6C(CN6C(=O)C7CCCN7C(=O)C(CCCN=C(N)N)NC(=O)(CCCN=C(N)N)N)O)C(=O)N(CCCN=C(N)N)C(=O)O
InChI InChI=1S/C59H89N19O13S/c60-37(14-5-19-67-57(61)62)48(82)72-38(15-6-20-68-58(63)64)52(86)75-22-8-18-43(75)54(88)77-30-35(80)26-44(77)50(84)70-28-47(81)71-40(27-36-13-9-23-92-36)49(83)74-41(31-79)53(87)76-29-34-12-2-1-10-32(34)24-46(76)55(89)78-42-17-4-3-11-33(42)25-45(78)51(85)73-39(56(90)91)16-7-21-69-59(65)66/h1-2,9-10,12-13,23,33,35,37-46,79-80H,3-8,11,14-22,24-31,60H2,(H,70,84)(H,71,81)(H,72,82)(H,73,85)(H,74,83)(H,90,91)(H4,61,62,67)(H4,63,64,68)(H4,65,66,69)/t33-,35+,37+,38-,39-,40-,41-,42-,43-,44-,45?,46+/m0/s1 Key:QURWXBZNHXJZBE-OVZQYVDUSA-N