Name: Satavaptan
Rating: 5 (10 reviews)

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sdf 文件

结构编辑

类似物检索

HIT ID:HIT214318681
Cas No:185913-78-4
常用名:Satavaptan
别名:SR-121463, SR121463, SR 121463
IUPAC:N-tert-butyl-3-methoxy-4-{[(1s,4s)-5'-ethoxy-4-[2-(morpholin-4-yl)ethoxy]-2'-oxo-1',2'-dihydrospiro[cyclohexane-1,3'-indol]-1'-yl]sulfonyl}benzamide
IUPAC:N-tert-butyl-3-methoxy-4-{[(1s,4s)-5'-ethoxy-4-[2-(morpholin-4-yl)ethoxy]-2'-oxo-1',2'-dihydrospiro[cyclohexane-1,3'-indol]-1'-yl]sulfonyl}benzamide
InChI key:QKXJWFOKVQWEDZ-VCCCEUOBSA-N

分子式:C33H45N3O8S
分子量:643.8
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:CCOc1ccc2N(C(=O)[C@@]3(CC[C@@H](CC3)OCCN3CCOCC3)c2c1)S(=O)(=O)c1ccc(cc1OC)C(=O)NC(C)(C)C |wU:10.26,wD:13.16,(-1.79,5.36,;-1.26,3.91,;.26,3.66,;.8,2.21,;-.18,1.03,;.35,-.42,;1.87,-.67,;2.69,-1.97,;4.19,-1.59,;5.37,-2.57,;4.28,-.05,;4.22,1.48,;5.52,2.31,;6.88,1.59,;6.95,.06,;5.65,-.77,;8.19,2.42,;9.55,1.71,;10.85,2.53,;10.79,4.07,;9.42,4.78,;9.36,6.32,;10.66,7.15,;12.02,6.43,;12.09,4.89,;2.85,.51,;2.32,1.96,;2.13,-3.41,;3.56,-3.97,;.7,-2.84,;1.56,-4.84,;.04,-5.06,;-.53,-6.49,;.43,-7.7,;1.95,-7.48,;2.52,-6.04,;4.04,-5.82,;5,-7.03,;-.14,-9.13,;.81,-10.34,;-1.67,-9.36,;-2.23,-10.79,;-2.8,-12.22,;-.8,-11.36,;-3.66,-10.22,)|
SMILES:CCOc1ccc2N(C(=O)[C@@]3(CC[C@@H](CC3)OCCN3CCOCC3)c2c1)S(=O)(=O)c1ccc(cc1OC)C(=O)NC(C)(C)C |wU:10.26,wD:13.16,(-1.79,5.36,;-1.26,3.91,;.26,3.66,;.8,2.21,;-.18,1.03,;.35,-.42,;1.87,-.67,;2.69,-1.97,;4.19,-1.59,;5.37,-2.57,;4.28,-.05,;4.22,1.48,;5.52,2.31,;6.88,1.59,;6.95,.06,;5.65,-.77,;8.19,2.42,;9.55,1.71,;10.85,2.53,;10.79,4.07,;9.42,4.78,;9.36,6.32,;10.66,7.15,;12.02,6.43,;12.09,4.89,;2.85,.51,;2.32,1.96,;2.13,-3.41,;3.56,-3.97,;.7,-2.84,;1.56,-4.84,;.04,-5.06,;-.53,-6.49,;.43,-7.7,;1.95,-7.48,;2.52,-6.04,;4.04,-5.82,;5,-7.03,;-.14,-9.13,;.81,-10.34,;-1.67,-9.36,;-2.23,-10.79,;-2.8,-12.22,;-.8,-11.36,;-3.66,-10.22,)|

Satavaptan is a vasopressin V2 receptor antagonist. Satavaptan improves the control of ascites in cirrhosis.

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