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This is an old revision of this page, as edited by Beetstra (talk | contribs) at 13:43, 22 November 2011 (Saving copy of the {{drugbox}} taken from revid 447765362 of page Icatibant for the Chem/Drugbox validation project (updated: 'ChEMBL', 'CAS_number').). The present address (URL) is a permanent link to this revision, which may differ significantly from the current revision.

Revision as of 13:43, 22 November 2011 by Beetstra (talk | contribs) (Saving copy of the {{drugbox}} taken from revid 447765362 of page Icatibant for the Chem/Drugbox validation project (updated: 'ChEMBL', 'CAS_number').)(diff) ← Previous revision | Latest revision (diff) | Newer revision → (diff)
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.comInternational Drug Names
License data
Routes of
administration		subcutaneous
ATC code
Legal status
Legal status
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
IUPHAR/BPS
DrugBank
ChemSpider
UNII
Chemical and physical data
FormulaC59H89N19O13S
Molar mass1304.52 g/mol g·mol
3D model (JSmol)
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