2243786-00-5 (泊沙康唑杂质1,Posaconazole impurity 1)

CAS号:
2243786-00-5
中文名称:
泊沙康唑杂质1
英文名称:
Posaconazole impurity 1
分子式:
C30H35N5O3
分子量:
513.630606889725

泊沙康唑杂质1(2243786-00-5)名称与标识符

名称

中文别名:
泊沙康唑杂质8;
英文别名:
Posaconazole Impurity 8;2-[(1S,2R)-1-Ethyl-2-(phenylmethoxy)propyl]-2,4-dihydro-4-[4-[4-(4-hydroxyphenyl)-1-piperazinyl]phenyl]-3H-1,2,4-triazol-3-one (ACI);

标识符

InChIKey:
QLRPRKJUMRQTOV-BTYSJIOQSA-N
Inchi:
1S/C30H35N5O3/c1-3-29(23(2)38-21-24-7-5-4-6-8-24)35-30(37)34(22-31-35)27-11-9-25(10-12-27)32-17-19-33(20-18-32)26-13-15-28(36)16-14-26/h4-16,22-23,29,36H,3,17-21H2,1-2H3/t23-,29+/m1/s1
SMILES:
O=C1N([C@@H](CC)[C@@H](C)OCC2C=CC=CC=2)N=CN1C1C=CC(N2CCN(C3C=CC(O)=CC=3)CC2)=CC=1

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