Description:
Icatibant acetate is a selective antagonist of bradykinin B2 receptors. Icatibant is a medication approved for the treatment of acute attacks of hereditary angioedema (HAE) in adults with C1-esterase-inhibitor deficiency.
- Molecular Weight: 1304.52 (free base)
- Molecular Formula: C59H89N19O13S.xC2H4O2
Purity: ≥95%
Canonical SMILES:
CC(=O)O.C1CCC2C(C1)CC(N2C(=O)C3CC4=CC=CC=C4CN3C(=O)C(CO)NC(=O)C(CC5=CC=CS5)NC(=O)CNC(=O)C6CC(CN6C(=O)C7CCCN7C(=O)C(CCCN=C(N)N)NC(=O)C(CCCN=C(N)N)N)O)C(=O)NC(CCCN=C(N)N)C(=O)O
InChI:
InChI=1S/C59H89N19O13S.C2H4O2/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;1-2(3)4/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);1H3,(H,3,4)/t33-,35+,37+,38-,39-,40-,41-,42-,43-,44-,45-,46+;/m0./s1
InChIKey: HKMZRZUEADSZDQ-DZJWSCHMSA-N
- Melting Point: 213-218°C
- Solubility: Soluble in Water
- Appearance: White Solid
- Application: Anti-Inflammatory Agents, Non-Steroidal
- Storage: Store at -20°C
Synonyms:
HOE 140 Acetate; HOE140 Acetate; HOE-140 Acetate; L-Arginine, D-arginyl-L-arginyl-L-prolyl-(4R)-4-hydroxy-L-prolylglycyl-3-(2-thienyl)-L-alanyl-L-seryl-(3R)-1,2,3,4-tetrahydro-3-isoquinolinecarbonyl-(2S,3aS,7aS)-octahydro-1H-indole-2-carbonyl-, acetate (1: x); H-D-Arg-Arg-Pro-Hyp-Gly-2Thi-Ser-D-Tic-Oic-Arg-OH.CH3CO2H; L-Arginine, D-arginyl-L-arginyl-L-prolyl-trans-4-hydroxy-L-prolylglycyl-3-(2-thienyl)-L-alanyl-L-seryl-D-1,2,3,4-tetrahydro-3-isoquinolinecarbonyl-L-(2α,3aβ,7aβ)-octahydro-1H-indole-2-carbonyl-, acetate (salt); Firazyr
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