174391-69-6 (氟替卡松17β-羧酸丙酸,Amoxicillin Trimer)

CAS号:
174391-69-6
中文名称:
氟替卡松17β-羧酸丙酸
英文名称:
Amoxicillin Trimer
分子式:
C48H57N9O15S3
分子量:
1096.21248793602

氟替卡松17β-羧酸丙酸(174391-69-6)名称与标识符

名称

中文别名:
氟替卡松17β-羧酸丙酸;阿莫西林(闭环)三聚体;阿莫西林杂质M(EP);阿莫西林三聚体;阿莫西林 EP 杂质 M;
英文别名:
Amoxicillin Trimer;Amoxicillin Impurity 34;(2R,2'R,4S,4'S)-2,2'-((1R,4R,7R,10R,13R)-1-amino-14-(((2S,5R,6R)-2-carboxy-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptan-6-yl)amino)-1,7,13-tris(4-hydroxyphenyl)-2,5,8,11,14-pentaoxo-3,6,9,12-tetraazatetradecane-4,10-diyl)bis(5,5-dimethylthiazolidin;Amoxicillin Impurity M (EP) (n=3 Trimer);Amoxicillin Impurity N (EP) (n=3 Trimer);(2R,2'R,4S,4'S)-2,2'-((1R,4R,7R,10R,13R)-1-amino-14-(((2S,5R,6R)-2-carboxy-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptan-6-yl)amino)-1,7,13-tris(4-hydroxyphenyl)-2,5,8,11,14-pentaoxo-3,6,9,12-tetraazatetradecane-4,10-diyl)bis(5,5-dimethylthiazolidine-4-carboxylic acid);Amoxicillin Impurity M(EP);Amoxicillin EP impurity M;

标识符

InChIKey:
SZVIOUYQAQHOGB-HPZDDAMBSA-N
Inchi:
1S/C48H57N9O15S3/c1-46(2)31(43(67)68)54-38(73-46)27(52-35(62)25(49)19-7-13-22(58)14-8-19)37(64)51-26(20-9-15-23(59)16-10-20)36(63)53-28(39-55-32(44(69)70)47(3,4)74-39)40(65)56(29(34(50)61)21-11-17-24(60)18-12-21)30-41(66)57-33(45(71)72)48(5,6)75-42(30)57/h7-18,25-33,38-39,42,54-55,58-60H,49H2,1-6H3,(H2,50,61)(H,51,64)(H,52,62)(H,53,63)(H,67,68)(H,69,70)(H,71,72)/t25?,26?,27?,28?,29-,30-,31+,32+,33+,38-,39-,42-/m1/s1
SMILES:
C(N)(=O)[C@@H](C1=CC=C(O)C=C1)N(C(=O)C([C@@H]1N[C@@H](C(O)=O)C(C)(C)S1)NC(=O)C(C1=CC=C(O)C=C1)NC(=O)C([C@@H]1N[C@@H](C(O)=O)C(C)(C)S1)NC(=O)C(C1=CC=C(O)C=C1)N)[C@@H]1C(=O)N2[C@]1([H])SC(C)(C)[C@@H]2C(O)=O