basic_info |
|
| Product_Name： | 西曲瑞克 |
| CAS： | 145672-81-7 ;120287-85-6 |
| 中文同义词： | 醋酸西曲瑞克 ; 西曲瑞克 |
| EnglishSynonyms： | CETRORELIX ACETATE(CETROTIDE)/ ; CETROTIDE ACETATE ; SB 7 ; CETRORELIX ACETATE ; SB-75 ; 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 ACETIC ACID SALT ; CETROTIDE ; NS-75A ; AC-(D-ALA[3-(2-NAPHTHYL)])-[D-PHE(4-CL)]-(D-ALA[3-(3-PYRIDYL)])-SER-TYR-(D-CIT)-LEU-ARG-PRO-D-ALA-NH2, ACETATE ; CETRORELIXUM ; CETRORELIX ; CETRORELIX ACETATE SALT ; AC-D-NAL-D-CPA-D-PAL-SER-TYR-D-CIT-LEU-ARG-PRO-D-ALA-NH2 ACETATE ; SB-75 ACETATE ; NS-75A ACETATE ; AC-D-2-NAL-4-CHLORO-D-PHE-BETA-(3-PYRIDYL)-D-ALA-SER-TYR-D-CIT-LEU-ARG-PRO-D-ALA-NH2 ACETATE SALT ; CHEBI:59224 |
| pro_mdlNumber： | MFCD08459466 |
| pro_acceptors： | 31 |
| pro_donors： | 17 |
| pro_smile： | CC(C)C[C@@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N[C@H](C)C(=O)N)NC(=O)[C@@H](CCCNC(=O)N)NC(=O)[C@H](Cc2ccc(cc2)O)NC(=O)[C@H](CO)NC(=O)[C@@H](Cc3cccnc3)NC(=O)[C@@H](Cc4ccc(cc4)Cl)NC(=O)[C@@H](Cc5ccc6ccccc6c5)NC(=O)C.CC(=O)O |
| 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 |
| InChiKey： | InChIKey=KFEFLCOCAHJBEA-ANRVCLKPSA-N |
property |
|
secure_info |
|
| secure_symbol： |
GHS08
|
| secure_signal_word： | Warning |
| secure_risk_stmt： | H361 |
| secure_cautionary_stmt： | P281 |
| secure_risk_disclosure_stmt： | R:60-63 |
| secure_security_stmt： | S:22 |
| secure_wgk_germany： | 3 |
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