Cetrorelix Acetate,1631741-31-5-Amadis Chemical

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[CAS No.1631741-31-5] A978888 Cetrorelix Acetate 97%

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Product Details [1631741-31-5]

CAS Number: 1631741-31-5

MDL No.:

Catalog Number: A978888

EINECS:

Molecular Formula: C₇₂H₉₆ClN₁₇O₁₆

Molecular Weight: 1,491.09

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Storage: Store in 2-8°C for long term (months)

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Pubchem ID: 25078429

Synonyms:

Smiles: C(C)(O)=O.C([C@@H](NC([C@@H](NC([C@H](NC([C@H](CC1=CC=C(O)C=C1)NC([C@@H](NC([C@@H](CC1C=CC=NC=1)NC([C@@H](CC1=CC=C(Cl)C=C1)NC([C@@H](CC1=CC2C(=CC=CC=2)C=C1)NC(C)=O)=O)=O)=O)CO)=O)=O)CCCNC(N)=O)=O)CC(C)C)=O)CCCNC(=N)N)(=O)N1[C@H](C(N[C@@H](C(N)=O)C)=O)CCC1

InchiKey: KFEFLCOCAHJBEA-ANRVCLKPSA-N

Inchi: InChI=1S/C70H92ClN17O14.C2H4O2/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;1-2(3)4/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);1H3,(H,3,4)/t40-,50-,51+,52+,53-,54+,55-,56-,57+,58+;/m1./s1

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