CAS Number130289-71-3
SynonymsD-Alaninamide, N-acetyl-3-(2-naphthalenyl)-D-alanyl-4-chloro-D-phenylalanyl-3-(3-pyridinyl)-D-alanyl-L-seryl-L-tyrosyl-N(sup 5)-aminocarbonyl)-D-ornithyl-L-leucyl-L-arginyl-L-prolyl-, mono(trifluoroacetate) (salt); D-Alaninamide, 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-, mono(trifluoroacetate) (salt); Cetrorelix
Molecular FormulaC72H93ClF3N17O16
Molecular Weight1545.06000
Purity98.00%
Boiling Point1771.5ºC at 760 mmHg
| Chemical & Physical Properties | |
|---|---|
| CAS Number | 130289-71-3 |
| Catalog No. | 2A-9052034 |
| Chinese Name | 西曲瑞克三氟乙酸盐 |
| Synonyms | D-Alaninamide, N-acetyl-3-(2-naphthalenyl)-D-alanyl-4-chloro-D-phenylalanyl-3-(3-pyridinyl)-D-alanyl-L-seryl-L-tyrosyl-N(sup 5)-aminocarbonyl)-D-ornithyl-L-leucyl-L-arginyl-L-prolyl-, mono(trifluoroacetate) (salt); D-Alaninamide, 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-, mono(trifluoroacetate) (salt); Cetrorelix |
| Molecular Formula | C72H93ClF3N17O16 |
| Molecular Weight | 1545.06000 |
| Purity | 98.00 |
| Boiling Point | 1771.5ºC at 760 mmHg |
| SMILES | CC(=O)NC(Cc1ccc2ccccc2c1)C(=O)NC(Cc1ccc(Cl)cc1)C(=O)NC(Cc1cccnc1)C(=O)NC(CO)C(=O)NC(Cc1ccc(O)cc1)C(=O)NC(CCCNC(N)=O)C(=O)NC(CC(C)C)C(=O)NC(CCCN=C(N)N)C(=O)N1CCCC1C(=O)NC(C)C(N)=O.O=C(O)C(F)(F)F |
| InChI | InChI=1S/C70H92ClN17O14.C2HF3O2/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;3-2(4,5)1(6)7/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);(H,6,7)/t40-,50-,51+,52+,53-,54+,55-,56-,57+,58+;/m1./s1 |
| InChI Key | QJPSZAPHZMUGOX-ANRVCLKPSA-N |
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