1708997-42-5 (Upadacitinib Impurity 6,Upadacitinib Impurity 6)

CAS号:
1708997-42-5
中文名称:
Upadacitinib Impurity 6
英文名称:
Upadacitinib Impurity 6
分子式:
C29H29N5O4S
分子量:
543.64

Upadacitinib Impurity 6(1708997-42-5)名称与标识符

名称

英文别名:
1-​Pyrrolidinecarboxyli​c acid, 3-​ethyl-​4-​[3-​[(4-​methylphenyl)​sulfonyl]​-​3H-​imidazo[1,​2-​a]​pyrrolo[2,​3-​e]​pyrazin-​8-​yl]​-​, phenylmethyl ester, (3S,​4R)​-;

标识符

InChIKey:
MCBXXQJEBJJFFW-VWNXMTODSA-N
Inchi:
1S/C29H29N5O4S/c1-3-22-17-32(29(35)38-19-21-7-5-4-6-8-21)18-24(22)26-15-30-27-16-31-28-25(34(26)27)13-14-33(28)39(36,37)23-11-9-20(2)10-12-23/h4-16,22,24H,3,17-19H2,1-2H3/t22-,24+/m1/s1
SMILES:
N1C=C([C@@H]2[C@H](CC)CN(C(OCC3C=CC=CC=3)=O)C2)N2C3C=CN(S(=O)(=O)C4C=CC(C)=CC=4)C=3N=CC=12

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