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Details for Cetrorelix acetate

Cetrorelix acetate

Category:

Intermediates/Pharmaceutical intermediates

CAS NO:

120287-85-6

EC NO:

Molecular Formula:

C₇₀H₉₂ClN₁₇O₁₄

Molecular Weight:

1431.038

Specification:

InChI:

InChI=1/C70H92ClN17O14/c1-39(2)31-52(61(94)82-51(15-9-28-77-69(73)74)68(101)88-30-10-16-58(88)67(100)79-40(3)59(72)92)83-60(93)50(14-8-29-78-70(75)102)81-63(96)54(34-43-20-25-49(91)26-21-43)86-66(99)57(38-89)87-65(98)56(36-45-11-7-27-76-37-45)85-64(97)55(33-42-18-23-48(71)24-19-42)84-62(95)53(80-41(4)90)35-44-17-22-46-12-5-6-13-47(46)32-44/h5-7,11-13,17-27,32,37,39-40,50-58,89,91H,8-10,14-16,28-31,33-36,38H2,1-4H3,(H2,72,92)(H,79,100)(H,80,90)(H,81,96)(H,82,94)(H,83,93)(H,84,95)(H,85,97)(H,86,99)(H,87,98)(H4,73,74,77)(H3,75,78,102)/t40-,50-,51+,52+,53-,54-,55+,56-,57-,58?/m1/s1

Synonyms:

(2S)-N-[(2R)-1-Amino-1-oxopropan-2-yl]-1-[(2S,5S,8R,11S,14S,17R,20R,23R)-2-(3-carbamimidamidopropyl)-8-[3-(carbamoylamino)propyl]-20-(4-chlorobenzyl)-11-(4-hydroxybenzyl)-14-(hydroxymethyl)-5-isobutyl-23-(2-naphthylmethyl)-4,7,10,13,16,19,22,25-octaoxo-17-(pyridin-3-ylmethyl)-3,6,9,12,15,18,21,24-octaazahexacosan-1-oyl]pyrrolidine-2-carboxamide (non-preferred name);Cetrorelix [INN];D-alaninamide, N-acetyl-3-(2-naphthalenyl)-D-alanyl-4-chloro-D-phenylalanyl-3-(3-pyridinyl)-D-alanyl-L-seryl-L-tyrosyl-N~5~-(aminocarbonyl)-D-ornithyl-L-leucyl-L-arginyl-L-prolyl-;N-Acetyl-3-(2-naphthalenyl)-D-alanyl-4-chloro-D-phenylalanyl-3-(3-pyridinyl)-D-alanyl-L-seryl-L-tyrosyl-N5-(aminocarbonyl)-D-ornithyl-L-leucyl-L-arginyl-L-prolyl-D-alaninamide;N-Acetyl-3-(2-naphthyl)-D-alanyl-4-chloro-D-phenylalanyl-3-(pyridin-3-yl)-D-alanyl-L-seryl-L-tyrosyl-N~5~-carbamoyl-D-ornithyl-L-leucyl-L-arginyl-L-prolyl-D-alaninamide;Cetrorelix Acetate;

Molecular Structure:

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