BUTANETHIOIC ACID, S-[4-(1,2,3,5,6,10B-HEXAHYDROPYRROLO[2,1-A]ISOQUINOLIN-6-YL)PHENYL] ESTER, TRANS-(+), (2R,3R)-2,3-DIHYDROXYBUTANEDIOATE

CAS号
CCD编号
CCD00620233
分子式
C22 H25 N O S . C4 H6 O6
分子量
501.597

基本信息

产品名称: BUTANETHIOIC ACID, S-[4-(1,2,3,5,6,10B-HEXAHYDROPYRROLO[2,1-A]ISOQUINOLIN-6-YL)PHENYL] ESTER, TRANS-(+), (2R,3R)-2,3-DIHYDROXYBUTANEDIOATE
英文同义词: THIOBUTYRIC ACID S-[4-(1,2,3,5,6,10B-HEXAHYDRO-PYRROLO[2,1-A]ISOQUINOLIN-6-YL)-PHENYL] ESTER ; S-BU-MCN-5652 TARTRATE ; MCN 5652 THIOBUTYRATE ; MCN 5652 THIOBUTYRATE COMPOUND WITH 2,3-DIHYDROXY-SUCCINIC ACID ; BUTANETHIOIC ACID, S-[4-(1,2,3,5,6,10B-HEXAHYDROPYRROLO[2,1-A]ISOQUINOLIN-6-YL)PHENYL] ESTER, TRANS-(+), (2R,3R)-2,3-DIHYDROXYBUTANEDIOATE
MDL号: MFCD08061463
氢键受体数量: 2
氢键供体数量: 0
Smile: CCCC(=O)Sc1ccc(cc1)[C@H]2CN3CCC[C@H]3c4c2cccc4.[C@@H]([C@H](C(=O)O)O)(C(=O)O)O
InChi: InChI=1S/C22H25NOS.C4H6O6/c1-2-6-22(24)25-17-12-10-16(11-13-17)20-15-23-14-5-9-21(23)19-8-4-3-7-18(19)20;5-1(3(7)8)2(6)4(9)10/h3-4,7-8,10-13,20-21H,2,5-6,9,14-15H2,1H3;1-2,5-6H,(H,7,8)(H,9,10)/t20-,21+;1-,2-/m11/s1
InChiKey: InChIKey=XDKMWDDDDOXOJJ-HWFHLCSKSA-N

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