CAS Number
Molecular Formula
C61H93N19O15S
Product format
Neat
Molecular Weight
1364.6
Storage
-20°C
Shipping
Room Temperature
API Family
Synonyms
Icatibant acetate; 138614-30-9; Hoe-140; 325O8467XK; HOE 140; Hoechst 140; Hoechst-140; SAJAZIR; JE049; RefChem:57035; DTXSID201027613; 863-000-7; 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-(2alpha, 3abeta, 7abeta)-octahydro-1H-indole-2-carbonyl-, Acetate; CHEBI:68564; Icatibant (acetate); Icatibant acetate [USAN]; Firazyr; (R)-Arginyl-(S)-arginyl-(S)-prolyl-(2S, 4R)-(4-hydroxyprolyl)glycyl-(S)-(3-(2-thienyl)alanyl)-(S)-seryl-(R)-((1, 2, 3, 4-tetrahydro-3-isoquinolyl)carbonyl)-(2S, 3aS and 7aS)-((hexahydro-2-indolinyl)carbonyl)-(S)-arginine acetate (salt); UNII-325O8467XK; Icatibant acetate?
Iupac Name
(2S)-2-[[(2S, 3aS, 7aS)-1-[(3R)-2-[(2S)-2-[[(2S)-2-[[2-[[(2S, 4R)-1-[(2S)-1-[(2S)-2-[[(2R)-2-amino-5-(diaminomethylideneamino)pentanoyl]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 and 7a-octahydroindole-2-carbonyl]amino]-5-(diaminomethylideneamino)pentanoic acid;acetic acid
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
