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

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Revision as of 13:43, 22 November 2011 editBeetstra (talk \| contribs)Edit filter managers, Administrators172,084 edits Saving copy of the {{drugbox}} taken from revid 447765362 of page Icatibant for the Chem/Drugbox validation project (updated: 'ChEMBL', 'CAS_number').← Previous edit		Latest revision as of 14:25, 29 January 2022 edit undo119.246.116.98 (talk)No edit summary
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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 = 477001424
	\| 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
			\| IUPAC_name = 2-Oxo-<small>L</small>-threo-hexono-1,4-lactone-2,3-enediol<br />''or''<br />(''R'')-3,4-dihydroxy-5-((''S'')- 1,2-dihydroxyethyl)furan-2(5''H'')-one
	\| image = Icatibant.png
			\| image = L-Ascorbic_acid.svg
			\| width = 200px
			\| image2 = Ascorbic-acid-from-xtal-1997-3D-balls.png
			\| width2 = 200px

	<!--Clinical data-->		<!--Clinical data-->
		⚫	\| Drugs.com = {{drugs.com\|MTM\|vitamin_c}}
	\| tradename =
			\| licence_EU = <!-- EMEA requires brand name -->
⚫	\| Drugs.com = {{drugs.com\|~~international~~\|~~icatibant~~}}
			\| licence_US = <!-- FDA may use generic name -->
	\| 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 = <!-- A / B / C / D / X -->
	\| pregnancy_category =		\| pregnancy_category = A
	\| legal_AU = <!-- S2, S3, S4, S5, S6, S7, S8, S9 ~~or Unscheduled~~-->		\| legal_AU = <!-- Unscheduled / S2 / S3 / S4 / S5 / S6 / S7 / S8 / S9 -->
	\| 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 / Class A, B, C -->
	\| legal_US = Rx-only		\| legal_US = <!-- OTC / Rx-only / Schedule I, II, III, IV, V -->
	\| legal_status =		\| legal_status = general public availability
	\| routes_of_administration = ~~subcutaneous~~		\| routes_of_administration = oral

	<!--Pharmacokinetic data-->		<!--Pharmacokinetic data-->
	\| bioavailability =		\| bioavailability = rapid & complete
	\| protein_bound =		\| protein_bound = negligible
			\| elimination_half-life = varies according to plasma concentration <!-- can be 30 min to weeks, depending on body stores -->
	\| metabolism =
		⚫	\| excretion = renal
	\| elimination_half-life =
⚫	\| excretion =

	<!--Identifiers-->		<!--Identifiers-->
			\| CASNo_Ref = {{cascite\|correct\|CAS}}
	\| CAS_number = <!-- blanked - oldvalue: 130308-48-4 -->
			\| CAS_number_Ref = {{cascite\|correct\|??}}
	\| ATC_prefix = C01
	\| ~~ATC_suffix~~ = ~~EB19~~		\| CAS_number = 50-81-7
	\| ~~ATC_supplemental~~ =		\| ATC_prefix = A
	\| ~~PubChem~~ = ~~71364~~		\| ATC_suffix = 11G
			\| ChEBI_Ref = {{ebicite\|correct\|EBI}}
	\| IUPHAR_ligand = 667
	\| ~~DrugBank~~ = ~~DB06196~~		\| ChEBI = 29073
			\| PubChem = 5785
⚫	\| ChemSpiderID = ~~16736634~~
			\| DrugBank_Ref = {{drugbankcite\|correct\|drugbank}}
			\| DrugBank = DB00126
			\| ChemSpiderID_Ref = {{chemspidercite\|correct\|chemspider}}
		⚫	\| ChemSpiderID = 10189562
			\| NIAID_ChemDB = 002072
	\| UNII_Ref = {{fdacite\|correct\|FDA}}		\| UNII_Ref = {{fdacite\|correct\|FDA}}
	\| UNII = ~~7PG89G35Q7~~		\| UNII = PQ6CK8PD0R
			\| KEGG_Ref = {{keggcite\|correct\|kegg}}
	\| ChEMBL = <!-- blanked - oldvalue: 375218 -->
			\| KEGG = D00018
⚫	\| C=59 \| H=~~89 \| N=19~~ \| O=~~13 \| S=1~~
			\| ChEMBL_Ref = {{ebicite\|correct\|EBI}}
⚫	\| molecular_weight = ~~1304~~.52 g/~~mol~~
			\| ChEMBL = 196
	\| 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

	\| 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
			<!--Chemical data-->
⚫	\| StdInChIKey = ~~QURWXBZNHXJZBE~~-~~OVZQYVDUSA~~-N
			\| chemical_formula =
		⚫	\| C=6 \| H=7 \| O=6
		⚫	\| molecular_weight = 176.12 g/]
			\| smiles = C((1C(=C(C(=O)O1)O)O)O)O
			\| InChI = 1/C6H8O6/c7-1-2(8)5-3(9)4(10)6(11)12-5/h2,5,7-10H,1H2/t2-,5+/m0/s1
			\| StdInChI_Ref = {{stdinchicite\|correct\|chemspider}}
			\| StdInChI = 1S/C6H8O6/c7-1-2(8)5-3(9)4(10)6(11)12-5/h2,5,7-10H,1H2/t2-,5+/m0/s1
			\| StdInChIKey_Ref = {{stdinchicite\|correct\|chemspider}}
		⚫	\| StdInChIKey = CIWBSHSKHKDKBQ-JLAZNSOCSA-N
			\| synonyms = <small>L</small>-ascorbic acid
			\| density = 1.694
			\| melting_point = 190
			\| boiling_point = 553
	}}		}}

Latest revision as of 14:25, 29 January 2022

This page contains a copy of the infobox ({{drugbox}}) taken from revid 477243833 of page Vitamin_C with values updated to verified values.

WikiProject Chemicals/Chembox validation/VerifiedDataSandbox
Clinical data


Other names	L-ascorbic acid
AHFS/Drugs.com	Multum Consumer Information
Pregnancy category	A
Routes of administration	oral
ATC code	A11G (WHO)
Legal status
Legal status	general public availability
Pharmacokinetic data
Bioavailability	rapid & complete
Protein binding	negligible
Elimination half-life	varies according to plasma concentration
Excretion	renal
Identifiers
IUPAC name 2-Oxo-L-threo-hexono-1,4-lactone-2,3-enediol or (R)-3,4-dihydroxy-5-((S)- 1,2-dihydroxyethyl)furan-2(5H)-one
CAS Number	50-81-7
PubChem CID	5785
DrugBank	DB00126
ChemSpider	10189562
UNII	PQ6CK8PD0R
KEGG	D00018
ChEBI	CHEBI:29073
ChEMBL	ChEMBL196
NIAID ChemDB	002072
Chemical and physical data
Formula	C₆H₇O₆
Molar mass	176.12 g/mole g·mol
3D model (JSmol)	Interactive image
Density	1.694 g/cm
Melting point	190 °C (374 °F)
Boiling point	553 °C (1,027 °F)
SMILES C((1C(=C(C(=O)O1)O)O)O)O
InChI InChI=1S/C6H8O6/c7-1-2(8)5-3(9)4(10)6(11)12-5/h2,5,7-10H,1H2/t2-,5+/m0/s1 Key:CIWBSHSKHKDKBQ-JLAZNSOCSA-N
(verify)