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Revision as of 10:49, 9 April 2012 editBeetstra (talk | contribs)Edit filter managers, Administrators172,031 edits Saving copy of the {{drugbox}} taken from revid 448002428 of page Bibrocathol for the Chem/Drugbox validation project (updated: 'StdInChI', 'StdInChIKey', 'CAS_number').← Previous edit Revision as of 10:50, 9 April 2012 edit undoBeetstra (talk | contribs)Edit filter managers, Administrators172,031 edits Saving copy of the {{chembox}} taken from revid 477165069 of page Bilastine for the Chem/Drugbox validation project (updated: 'CASNo').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|chembox}}) taken from revid of page ] with values updated to verified values.}}
{{Drugbox {{Chembox
| ImageFile = Bilastine.svg
| IUPAC_name = 4,5,6,7-tetrabromo-2-hydroxy-1,3,2-benzodioxabismole
| ImageSize = 200px
| image = Bibrocathol structure.svg
| IUPACName = 2--1-piperidinyl}ethyl)phenyl]-2-methylpropanoic acid

| OtherNames =
<!--Clinical data-->
| Section1 = {{Chembox Identifiers
| tradename =
⚫ | CASNo = <!-- blanked - oldvalue: 202189-78-4 -->
| Drugs.com = {{drugs.com|international|bibrocathol}}
⚫ | CASNo_Ref = {{cascite|correct|}}
| pregnancy_AU = <!-- A / B1 / B2 / B3 / C / D / X -->
⚫ | UNII = PA1123N395
| pregnancy_US = <!-- A / B / C / D / X -->
⚫ | PubChem = 185460
| pregnancy_category =
⚫ | ChemSpiderID = 161234
| legal_AU = <!-- S2, S3, S4, S5, S6, S7, S8, S9 or Unscheduled-->
| SMILES = O=C(O)C(c1ccc(cc1)CCN4CCC(c2nc3ccccc3n2CCOCC)CC4)(C)C
| legal_CA = <!-- Schedule I, II, III, IV, V, VI, VII, VIII -->
| InChI = 1/C28H37N3O3/c1-4-34-20-19-31-25-8-6-5-7-24(25)29-26(31)22-14-17-30(18-15-22)16-13-21-9-11-23(12-10-21)28(2,3)27(32)33/h5-12,22H,4,13-20H2,1-3H3,(H,32,33)
| legal_UK = <!-- GSL, P, POM, CD, or Class A, B, C -->
| InChIKey = ACCMWZWAEFYUGZ-UHFFFAOYAW
| legal_US = <!-- OTC / Rx-only / Schedule I, II, III, IV, V -->
| StdInChI = 1S/C28H37N3O3/c1-4-34-20-19-31-25-8-6-5-7-24(25)29-26(31)22-14-17-30(18-15-22)16-13-21-9-11-23(12-10-21)28(2,3)27(32)33/h5-12,22H,4,13-20H2,1-3H3,(H,32,33)
| legal_status =
⚫ | StdInChIKey = ACCMWZWAEFYUGZ-UHFFFAOYSA-N
| routes_of_administration = Topical (eye ointment)
}}

| Section2 = {{Chembox Properties
<!--Pharmacokinetic data-->
| C=28|H=37|N=3|O=3
| bioavailability =
| Appearance =
| protein_bound =
| metabolism = | Density =
| MeltingPt =
| elimination_half-life =
| excretion = | BoilingPt =
| Solubility =

}}
<!--Identifiers-->
| Section3 = {{Chembox Hazards
⚫ | CAS_number = <!-- blanked - oldvalue: 6915-57-7 -->
| ATC_prefix = S01 | MainHazards =
| ATC_suffix = AX05 | FlashPt =
| Autoignition =
| StdInChI = 1S/C6H2Br4O2.Bi.H2O/c7-1-2(8)4(10)6(12)5(11)3(1)9;;/h11-12H;;1H2/q;+3;/p-3
}}
⚫ | StdInChIKey = VTAVFIZOZUAKKE-UHFFFAOYSA-K
| Section5 = {{Chembox Pharmacology
⚫ | PubChem = 16683103
| DrugBank = | AdminRoutes =
| Bioavail =
⚫ | ChemSpiderID = 11232581
| Metabolism =
⚫ | UNII_Ref = {{fdacite|correct|FDA}}
| HalfLife =
⚫ | UNII = 0KJ20H1BLJ
| ProteinBound =
| ChEMBL = 44875
| Excretion =

| Legal_status =
<!--Chemical data-->
| Legal_US =
| chemical_formula =
| Legal_UK =
| C=6 | H=1 | Bi=1 | Br=4 | O=3
| Legal_AU =
| molecular_weight = 650.675 g/mol
| Legal_CA =
| smiles = O1Oc2c(Br)c(Br)c(Br)c(Br)c2O1
| PregCat =
| InChI = 1/C6H2Br4O2.Bi.H2O/c7-1-2(8)4(10)6(12)5(11)3(1)9;;/h11-12H;;1H2/q;+3;/p-3/rC6HBiBr4O3/c8-1-2(9)4(11)6-5(3(1)10)13-7(12)14-6/h12H
| PregCat_AU =
| InChIKey = VTAVFIZOZUAKKE-AJXSUKGNAS
| PregCat_US = }}
| synonyms = Bibrocathin<br>Tetrabromopyrocatechol&nbsp;bismuth
}} }}

Revision as of 10:50, 9 April 2012

This page contains a copy of the infobox ({{chembox}}) taken from revid 477165069 of page Bilastine with values updated to verified values.

{{Chembox | ImageFile = Bilastine.svg | ImageSize = 200px | IUPACName = 2--1-piperidinyl}ethyl)phenyl]-2-methylpropanoic acid | OtherNames = | Section1 = ! colspan=2 style="background: #f8eaba; text-align: center;" |Identifiers

|-


|

3D model (JSmol)

|

|-



| ChemSpider

|

|-





|

PubChem CID

|

|-

| UNII

|

|-


| colspan="2" |

InChI
  • InChI=1S/C28H37N3O3/c1-4-34-20-19-31-25-8-6-5-7-24(25)29-26(31)22-14-17-30(18-15-22)16-13-21-9-11-23(12-10-21)28(2,3)27(32)33/h5-12,22H,4,13-20H2,1-3H3,(H,32,33)Key: ACCMWZWAEFYUGZ-UHFFFAOYSA-N
  • InChI=1/C28H37N3O3/c1-4-34-20-19-31-25-8-6-5-7-24(25)29-26(31)22-14-17-30(18-15-22)16-13-21-9-11-23(12-10-21)28(2,3)27(32)33/h5-12,22H,4,13-20H2,1-3H3,(H,32,33)Key: ACCMWZWAEFYUGZ-UHFFFAOYAW

|-

| colspan="2" |

SMILES
  • O=C(O)C(c1ccc(cc1)CCN4CCC(c2nc3ccccc3n2CCOCC)CC4)(C)C

|- | Section2 = ! colspan=2 style="background: #f8eaba; text-align: center;" |Properties

|-

|

Chemical formula

| C28H37N3O3

|- | Molar mass

| 463.622 g·mol

|- | Section3 = | Section5 = }}